CID 91350408

C14H14B — CID 91350408

IUPAC—
SMILESCc1cccc([B]Cc2ccccc2)c1
InChIInChI=1S/C14H14B/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyUPAWPNJAEIZZBL-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.52
Rot. Bonds3

About CID 91350408

CID 91350408 (PubChem CID 91350408) has the molecular formula C14H14B and a molecular weight of 193.08 g/mol.

Molecular Properties

Compound NameCID 91350408
PubChem CID91350408
Molecular FormulaC14H14B
Molecular Weight193.08 g/mol
Exact Mass193.12
IUPAC Name—
SMILESCc1cccc([B]Cc2ccccc2)c1
InChIInChI=1S/C14H14B/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyUPAWPNJAEIZZBL-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.52
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 91350408?
The IUPAC name of CID 91350408 (CID 91350408) is not available.
What is the SMILES notation for CID 91350408?
The canonical SMILES for CID 91350408 is Cc1cccc([B]Cc2ccccc2)c1.
What is the InChIKey of CID 91350408?
The InChIKey is UPAWPNJAEIZZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14B/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of CID 91350408?
CID 91350408 has a molecular weight of 193.08 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91350408 is sourced from PubChem (CID 91350408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).