CID 148518460

C8H7B — CID 148518460

IUPAC—
SMILES[B]/C=C\c1ccccc1
InChIInChI=1S/C8H7B/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6-
InChIKeyXXVLSRSDFMCVEQ-SREVYHEPSA-N
MW113.96 g/mol
LogP1.83
Rot. Bonds1

About CID 148518460

CID 148518460 (PubChem CID 148518460) has the molecular formula C8H7B and a molecular weight of 113.96 g/mol.

Molecular Properties

Compound NameCID 148518460
PubChem CID148518460
Molecular FormulaC8H7B
Molecular Weight113.96 g/mol
Exact Mass114.06
IUPAC Name—
SMILES[B]/C=C\c1ccccc1
InChIInChI=1S/C8H7B/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6-
InChIKeyXXVLSRSDFMCVEQ-SREVYHEPSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.96
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 148518460?
The IUPAC name of CID 148518460 (CID 148518460) is not available.
What is the SMILES notation for CID 148518460?
The canonical SMILES for CID 148518460 is [B]/C=C\c1ccccc1.
What is the InChIKey of CID 148518460?
The InChIKey is XXVLSRSDFMCVEQ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H7B/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6-.
What are the key properties of CID 148518460?
CID 148518460 has a molecular weight of 113.96 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148518460 is sourced from PubChem (CID 148518460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).