CID 177055008

C16H15B — CID 177055008

IUPAC—
SMILES[B]c1ccc(-c2ccc(/C(C)=C/C)cc2)cc1
InChIInChI=1S/C16H15B/c1-3-12(2)13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h3-11H,1-2H3/b12-3+
InChIKeyCZWQNTIICCNESY-KGVSQERTSA-N
MW218.11 g/mol
LogP3.57
Rot. Bonds2

About CID 177055008

CID 177055008 (PubChem CID 177055008) has the molecular formula C16H15B and a molecular weight of 218.11 g/mol.

Molecular Properties

Compound NameCID 177055008
PubChem CID177055008
Molecular FormulaC16H15B
Molecular Weight218.11 g/mol
Exact Mass218.13
IUPAC Name—
SMILES[B]c1ccc(-c2ccc(/C(C)=C/C)cc2)cc1
InChIInChI=1S/C16H15B/c1-3-12(2)13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h3-11H,1-2H3/b12-3+
InChIKeyCZWQNTIICCNESY-KGVSQERTSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 177055008 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 177055008?
The IUPAC name of CID 177055008 (CID 177055008) is not available.
What is the SMILES notation for CID 177055008?
The canonical SMILES for CID 177055008 is [B]c1ccc(-c2ccc(/C(C)=C/C)cc2)cc1.
What is the InChIKey of CID 177055008?
The InChIKey is CZWQNTIICCNESY-KGVSQERTSA-N. The full InChI is InChI=1S/C16H15B/c1-3-12(2)13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h3-11H,1-2H3/b12-3+.
What are the key properties of CID 177055008?
CID 177055008 has a molecular weight of 218.11 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177055008 is sourced from PubChem (CID 177055008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).