benzoic acid;9H-carbazole

C19H15NO2 — CID 162147282

IUPACbenzoic acid;9H-carbazole
SMILESO=C(O)c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C7H6O2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8-7(9)6-4-2-1-3-5-6/h1-8,13H;1-5H,(H,8,9)
InChIKeyZKSNUWKZUAZBRY-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.71
Rot. Bonds1

About benzoic acid;9H-carbazole

benzoic acid;9H-carbazole (PubChem CID 162147282) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is benzoic acid;9H-carbazole.

Molecular Properties

Compound Namebenzoic acid;9H-carbazole
PubChem CID162147282
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Namebenzoic acid;9H-carbazole
SMILESO=C(O)c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C7H6O2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8-7(9)6-4-2-1-3-5-6/h1-8,13H;1-5H,(H,8,9)
InChIKeyZKSNUWKZUAZBRY-UHFFFAOYSA-N
XLogP4.71
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87090637
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Frequently Asked Questions

What is the IUPAC name of benzoic acid;9H-carbazole?
The IUPAC name of benzoic acid;9H-carbazole (CID 162147282) is benzoic acid;9H-carbazole.
What is the SMILES notation for benzoic acid;9H-carbazole?
The canonical SMILES for benzoic acid;9H-carbazole is O=C(O)c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of benzoic acid;9H-carbazole?
The InChIKey is ZKSNUWKZUAZBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C7H6O2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8-7(9)6-4-2-1-3-5-6/h1-8,13H;1-5H,(H,8,9).
What are the key properties of benzoic acid;9H-carbazole?
benzoic acid;9H-carbazole has a molecular weight of 289.33 g/mol, XLogP of 4.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;9H-carbazole is sourced from PubChem (CID 162147282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).