CID 11182584

C6H6BN- — CID 11182584

IUPAC—
SMILES[B-]Nc1ccccc1
InChIInChI=1S/C6H6BN/c7-8-6-4-2-1-3-5-6/h1-5,8H/q-1
InChIKeyBLXITAYVEBFCHI-UHFFFAOYSA-N
MW102.93 g/mol
LogP1.18
Rot. Bonds1

About CID 11182584

CID 11182584 (PubChem CID 11182584) has the molecular formula C6H6BN- and a molecular weight of 102.93 g/mol.

Molecular Properties

Compound NameCID 11182584
PubChem CID11182584
Molecular FormulaC6H6BN-
Molecular Weight102.93 g/mol
Exact Mass103.06
IUPAC Name—
SMILES[B-]Nc1ccccc1
InChIInChI=1S/C6H6BN/c7-8-6-4-2-1-3-5-6/h1-5,8H/q-1
InChIKeyBLXITAYVEBFCHI-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.93
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174375257
N-phenylpyrrol-1-amine
CID 13016198
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CID 161328758
hydron;phenylhydrazine
CID 174827836

Frequently Asked Questions

What is the IUPAC name of CID 11182584?
The IUPAC name of CID 11182584 (CID 11182584) is not available.
What is the SMILES notation for CID 11182584?
The canonical SMILES for CID 11182584 is [B-]Nc1ccccc1.
What is the InChIKey of CID 11182584?
The InChIKey is BLXITAYVEBFCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BN/c7-8-6-4-2-1-3-5-6/h1-5,8H/q-1.
What are the key properties of CID 11182584?
CID 11182584 has a molecular weight of 102.93 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11182584 is sourced from PubChem (CID 11182584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).