CID 136504823

C13H10BNO — CID 136504823

IUPAC—
SMILES[B]c1ccc(/C=N/c2ccccc2)c(O)c1
InChIInChI=1S/C13H10BNO/c14-11-7-6-10(13(16)8-11)9-15-12-4-2-1-3-5-12/h1-9,16H/b15-9+
InChIKeyJPHBGGXYFOOSEP-OQLLNIDSSA-N
MW207.04 g/mol
LogP1.94
Rot. Bonds2

About CID 136504823

CID 136504823 (PubChem CID 136504823) has the molecular formula C13H10BNO and a molecular weight of 207.04 g/mol.

Molecular Properties

Compound NameCID 136504823
PubChem CID136504823
Molecular FormulaC13H10BNO
Molecular Weight207.04 g/mol
Exact Mass207.09
IUPAC Name—
SMILES[B]c1ccc(/C=N/c2ccccc2)c(O)c1
InChIInChI=1S/C13H10BNO/c14-11-7-6-10(13(16)8-11)9-15-12-4-2-1-3-5-12/h1-9,16H/b15-9+
InChIKeyJPHBGGXYFOOSEP-OQLLNIDSSA-N
XLogP1.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.04
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 136504823 with MolForge

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

Launch Full Analysis

Related Compounds

palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
5-(diethylamino)-2-(phenyliminomethyl)phenol
CID 641174
[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate
CID 136822877
4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol
CID 788003
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522
2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol
CID 139088519
2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
CID 3812353
oxovanadium;6-(phenyliminomethyl)-2,3-dihydro-1H-inden-5-ol;hydrobromide
CID 135967319

Frequently Asked Questions

What is the IUPAC name of CID 136504823?
The IUPAC name of CID 136504823 (CID 136504823) is not available.
What is the SMILES notation for CID 136504823?
The canonical SMILES for CID 136504823 is [B]c1ccc(/C=N/c2ccccc2)c(O)c1.
What is the InChIKey of CID 136504823?
The InChIKey is JPHBGGXYFOOSEP-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10BNO/c14-11-7-6-10(13(16)8-11)9-15-12-4-2-1-3-5-12/h1-9,16H/b15-9+.
What are the key properties of CID 136504823?
CID 136504823 has a molecular weight of 207.04 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136504823 is sourced from PubChem (CID 136504823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).