Molecule

ID:54771

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c16-9-4-10-17(12-5-2-1-3-6-12)14-11-13(18)7-8-15(14)19/h1-3,5-8,11H,4,10H2
InChIKey
SMESDIYEFMCACW-UHFFFAOYSA-N
Canonic Smiles
N#CCCN(C1=CC(=O)C=CC1=O)c1ccccc1
Isomeric Smiles
C1(=CC(=O)C=CC1=O)N(c1ccccc1)CCC#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3479686
LogD (pH = 7.4)
2.3479686
Log P
2.3479686
Molar Refractivity
74.9848
Polarizability
26.814434
Polar Surface Area
61.17
Rotatable Bonds
4
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