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COCONUT Compound

CARBAZOLE

CNP0230289.0 · C12H9N · View on COCONUT ↗

2D Structure

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Identifiers

NameCARBAZOLE
IUPAC Name9~{H}-carbazole
COCONUT IDCNP0230289.0
CAS86-74-8, 51555-21-6
InChIKeyUJOBWOGCFQCDNV-UHFFFAOYSA-N
InChIInChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
SMILESC1=CC=C2C(=C1)NC1=CC=CC=C12

Properties

Molecular FormulaC12H9N
Molecular Weight167.21
Exact Mass167.07350
Log P (ALogP)3.32
TPSA15.79
H-Bond Donors / Acceptors1 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.53
NP-likeness0.06

Classification

NP PathwayAlkaloids
NP SuperclassTryptophan alkaloids
NP ClassCarbazole alkaloids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassIndoles and derivatives
Chemical SubclassCarbazoles

Reported in GR-MAPs Plants

Murraya koenigii as “Murraya koenigii” in COCONUT

References (7)

  1. 10.1002/ANIE.201906864
  2. 10.1002/anie.201906864
  3. 10.1016/J.BMC.2013.01.012
  4. 10.1016/J.BSE.2018.07.007
  5. 10.1016/S0031-9422(00)81785-9
  6. 10.1016/S0367-326X(98)00021-5
  7. 10.1016/s0031-9422(00)81785-9

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.