CID 57450535

C14H11O — CID 57450535

IUPAC—
SMILESO=[C]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKeyVKHTXJYRPFXPFA-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.93
Rot. Bonds3

About CID 57450535

CID 57450535 (PubChem CID 57450535) has the molecular formula C14H11O and a molecular weight of 195.24 g/mol.

Molecular Properties

Compound NameCID 57450535
PubChem CID57450535
Molecular FormulaC14H11O
Molecular Weight195.24 g/mol
Exact Mass195.08
IUPAC Name—
SMILESO=[C]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKeyVKHTXJYRPFXPFA-UHFFFAOYSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 57450535 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

benzhydrylbenzene;isocyanic acid
CID 172798878
benzhydrylbenzene triisocyanate
CID 21225664
dichloromethylbenzene;isocyanic acid
CID 88815786
dichloromethylbenzene;isocyanic acid
CID 88845451
isocyanic acid;1-phenylethylbenzene
CID 172750897
benzhydrylalumane
CID 146889225
carbon dioxide;N-methyl-1-phenylethanamine
CID 91452394
[(1S)-1-isocyanatoethyl]benzene
CID 2724173
1-bromoethylbenzene;isocyanic acid
CID 154983763
bis(methylsulfinyl)methylbenzene
CID 173250906
[chloro(nitroso)methyl]benzene
CID 54497222
2-(4-iodophenyl)-2-phenylacetonitrile
CID 71668972

Frequently Asked Questions

What is the IUPAC name of CID 57450535?
The IUPAC name of CID 57450535 (CID 57450535) is not available.
What is the SMILES notation for CID 57450535?
The canonical SMILES for CID 57450535 is O=[C]C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 57450535?
The InChIKey is VKHTXJYRPFXPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H.
What are the key properties of CID 57450535?
CID 57450535 has a molecular weight of 195.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57450535 is sourced from PubChem (CID 57450535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).