Molecule

ID:36223

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O
Molecular Mass
224.25788
Exact Mass
224.09496301
Charge
0
InChI
InChI=1S/C14H12N2O/c15-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-16-10-11/h1-10H,15H2/b8-3+
InChIKey
XNRPHFPVYAZSBF-FPYGCLRLSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1cccnc1
Isomeric Smiles
C(=C\c1cnccc1)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
16.837477
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7647432
LogD (pH = 7.4)
1.8426173
Log P
1.8437269
Molar Refractivity
69.4205
Polarizability
25.583717
Polar Surface Area
55.98
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