CID 159743097

C16H22BBrNSi — CID 159743097

IUPAC—
SMILESCC(C)(C)[Si](C)(C)N1[B]C(c2ccc(Br)cc2)=CC=C1
InChIInChI=1S/C16H22BBrNSi/c1-16(2,3)20(4,5)19-12-6-7-15(17-19)13-8-10-14(18)11-9-13/h6-12H,1-5H3
InChIKeyGFPYFEWXVDEZEV-UHFFFAOYSA-N
MW347.16 g/mol
LogP5.24
Rot. Bonds2

About CID 159743097

CID 159743097 (PubChem CID 159743097) has the molecular formula C16H22BBrNSi and a molecular weight of 347.16 g/mol.

Molecular Properties

Compound NameCID 159743097
PubChem CID159743097
Molecular FormulaC16H22BBrNSi
Molecular Weight347.16 g/mol
Exact Mass346.08
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)N1[B]C(c2ccc(Br)cc2)=CC=C1
InChIInChI=1S/C16H22BBrNSi/c1-16(2,3)20(4,5)19-12-6-7-15(17-19)13-8-10-14(18)11-9-13/h6-12H,1-5H3
InChIKeyGFPYFEWXVDEZEV-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.16
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 159743097 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 159743097?
The IUPAC name of CID 159743097 (CID 159743097) is not available.
What is the SMILES notation for CID 159743097?
The canonical SMILES for CID 159743097 is CC(C)(C)[Si](C)(C)N1[B]C(c2ccc(Br)cc2)=CC=C1.
What is the InChIKey of CID 159743097?
The InChIKey is GFPYFEWXVDEZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BBrNSi/c1-16(2,3)20(4,5)19-12-6-7-15(17-19)13-8-10-14(18)11-9-13/h6-12H,1-5H3.
What are the key properties of CID 159743097?
CID 159743097 has a molecular weight of 347.16 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159743097 is sourced from PubChem (CID 159743097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).