CID 91462966

C14H16B — CID 91462966

IUPAC—
SMILESCc1ccccc1C[B]C1=CCCC=C1
InChIInChI=1S/C14H16B/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14/h3,5-10H,2,4,11H2,1H3
InChIKeyNLAOLDGMAPYJDN-UHFFFAOYSA-N
MW195.09 g/mol
LogP3.43
Rot. Bonds3

About CID 91462966

CID 91462966 (PubChem CID 91462966) has the molecular formula C14H16B and a molecular weight of 195.09 g/mol.

Molecular Properties

Compound NameCID 91462966
PubChem CID91462966
Molecular FormulaC14H16B
Molecular Weight195.09 g/mol
Exact Mass195.13
IUPAC Name—
SMILESCc1ccccc1C[B]C1=CCCC=C1
InChIInChI=1S/C14H16B/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14/h3,5-10H,2,4,11H2,1H3
InChIKeyNLAOLDGMAPYJDN-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91462966?
The IUPAC name of CID 91462966 (CID 91462966) is not available.
What is the SMILES notation for CID 91462966?
The canonical SMILES for CID 91462966 is Cc1ccccc1C[B]C1=CCCC=C1.
What is the InChIKey of CID 91462966?
The InChIKey is NLAOLDGMAPYJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16B/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14/h3,5-10H,2,4,11H2,1H3.
What are the key properties of CID 91462966?
CID 91462966 has a molecular weight of 195.09 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91462966 is sourced from PubChem (CID 91462966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).