CNP0611871.1
CNP0611871.1 · C13H15N5O4 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0611871.1 |
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| InChIKey | LKZCHKQPUGRMOP-MKMNVTDBSA-N |
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| InChI | InChI=1S/C13H15N5O4/c1-8-4-5-11(22-8)6-14-15-12(19)7-17-10(3)13(18(20)21)9(2)16-17/h4-6H,7H2,1-3H3,(H,15,19)/b14-6+ |
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| SMILES | CC1=CC=C(/C=N/NC(=O)CN2N=C(C)C([N+](=O)[O-])=C2C)O1 |
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Properties
| Molecular Formula | C13H15N5O4 |
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| Molecular Weight | 305.29 |
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| Exact Mass | 305.11240 |
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| Log P (ALogP) | 1.46 |
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| TPSA | 115.56 |
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| H-Bond Donors / Acceptors | 1 / 7 |
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| Rotatable Bonds | 5 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.51 |
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| NP-likeness | -2.79 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | |
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| NP Class | |
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| Chemical Superclass | |
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| Chemical Class | |
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| Chemical Subclass | |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
