Molecule

ID:34074

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O
Molecular Mass
236.26858
Exact Mass
236.09496301
Charge
0
InChI
InChI=1S/C15H12N2O/c18-11-12-3-4-14-5-7-17(15(14)8-12)10-13-2-1-6-16-9-13/h1-9,11H,10H2
InChIKey
WXIZNAYFQMKSAK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)n(cc2)Cc1cccnc1
Isomeric Smiles
c1c(ccc2c1n(cc2)Cc1cccnc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3446329
LogD (pH = 7.4)
2.5122178
Log P
2.514987
Molar Refractivity
71.0809
Polarizability
27.930239
Polar Surface Area
34.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation