CID 58353914

C7H9BNO2 — CID 58353914

IUPAC—
SMILESCc1cc(O[B]O)cc(C)n1
InChIInChI=1S/C7H9BNO2/c1-5-3-7(11-8-10)4-6(2)9-5/h3-4,10H,1-2H3
InChIKeyMUMKLACMFZSTPE-UHFFFAOYSA-N
MW149.97 g/mol
LogP0.60
Rot. Bonds2

About CID 58353914

CID 58353914 (PubChem CID 58353914) has the molecular formula C7H9BNO2 and a molecular weight of 149.97 g/mol.

Molecular Properties

Compound NameCID 58353914
PubChem CID58353914
Molecular FormulaC7H9BNO2
Molecular Weight149.97 g/mol
Exact Mass150.07
IUPAC Name—
SMILESCc1cc(O[B]O)cc(C)n1
InChIInChI=1S/C7H9BNO2/c1-5-3-7(11-8-10)4-6(2)9-5/h3-4,10H,1-2H3
InChIKeyMUMKLACMFZSTPE-UHFFFAOYSA-N
XLogP0.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.97
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 58353914 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 58353914?
The IUPAC name of CID 58353914 (CID 58353914) is not available.
What is the SMILES notation for CID 58353914?
The canonical SMILES for CID 58353914 is Cc1cc(O[B]O)cc(C)n1.
What is the InChIKey of CID 58353914?
The InChIKey is MUMKLACMFZSTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BNO2/c1-5-3-7(11-8-10)4-6(2)9-5/h3-4,10H,1-2H3.
What are the key properties of CID 58353914?
CID 58353914 has a molecular weight of 149.97 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58353914 is sourced from PubChem (CID 58353914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).