CID 58100929

C9H6BNW — CID 58100929

IUPAC—
SMILES[B]C(=[W])c1cc2ccccc2[nH]1
InChIInChI=1S/C9H6BN.W/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-5,11H;
InChIKeyQVPDHPYFONNZMW-UHFFFAOYSA-N
MW322.81 g/mol
LogP1.36
Rot. Bonds1

About CID 58100929

CID 58100929 (PubChem CID 58100929) has the molecular formula C9H6BNW and a molecular weight of 322.81 g/mol.

Molecular Properties

Compound NameCID 58100929
PubChem CID58100929
Molecular FormulaC9H6BNW
Molecular Weight322.81 g/mol
Exact Mass323.01
IUPAC Name—
SMILES[B]C(=[W])c1cc2ccccc2[nH]1
InChIInChI=1S/C9H6BN.W/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-5,11H;
InChIKeyQVPDHPYFONNZMW-UHFFFAOYSA-N
XLogP1.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
CID 141243954
1H-indole-2-carbothioic S-acid
CID 4713092
ethane;1H-indole-2-carboxylic acid
CID 91052830
N'-amino-1H-indole-2-carboximidamide
CID 136649421
chloro 1H-indole-2-carboxylate
CID 68813525
2-but-1-en-2-yl-1H-indole
CID 23105124
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole
CID 155367147
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
(E)-4-(1H-indol-2-yl)-4-oxobut-2-enoic acid
CID 12618365
bis(1H-indol-2-yl)phosphane
CID 151093221
2-[(Z)-2,5-dimethylhex-3-en-3-yl]-1H-indole
CID 134967037

Frequently Asked Questions

What is the IUPAC name of CID 58100929?
The IUPAC name of CID 58100929 (CID 58100929) is not available.
What is the SMILES notation for CID 58100929?
The canonical SMILES for CID 58100929 is [B]C(=[W])c1cc2ccccc2[nH]1.
What is the InChIKey of CID 58100929?
The InChIKey is QVPDHPYFONNZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BN.W/c10-6-8-5-7-3-1-2-4-9(7)11-8;/h1-5,11H;.
What are the key properties of CID 58100929?
CID 58100929 has a molecular weight of 322.81 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58100929 is sourced from PubChem (CID 58100929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).