CID 90109567

C9H10BO — CID 90109567

IUPAC—
SMILESCC1(C)[B]Oc2ccccc21
InChIInChI=1S/C9H10BO/c1-9(2)7-5-3-4-6-8(7)11-10-9/h3-6H,1-2H3
InChIKeyHHLMCWMRKNVXRL-UHFFFAOYSA-N
MW144.99 g/mol
LogP1.93
Rot. Bonds

About CID 90109567

CID 90109567 (PubChem CID 90109567) has the molecular formula C9H10BO and a molecular weight of 144.99 g/mol.

Molecular Properties

Compound NameCID 90109567
PubChem CID90109567
Molecular FormulaC9H10BO
Molecular Weight144.99 g/mol
Exact Mass145.08
IUPAC Name—
SMILESCC1(C)[B]Oc2ccccc21
InChIInChI=1S/C9H10BO/c1-9(2)7-5-3-4-6-8(7)11-10-9/h3-6H,1-2H3
InChIKeyHHLMCWMRKNVXRL-UHFFFAOYSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.99
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 90109567 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 90109567?
The IUPAC name of CID 90109567 (CID 90109567) is not available.
What is the SMILES notation for CID 90109567?
The canonical SMILES for CID 90109567 is CC1(C)[B]Oc2ccccc21.
What is the InChIKey of CID 90109567?
The InChIKey is HHLMCWMRKNVXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BO/c1-9(2)7-5-3-4-6-8(7)11-10-9/h3-6H,1-2H3.
What are the key properties of CID 90109567?
CID 90109567 has a molecular weight of 144.99 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90109567 is sourced from PubChem (CID 90109567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).