Molecule

ID:22396

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂N₂
Molecular Mass
256.30128
Exact Mass
256.10004839
Charge
0
InChI
InChI=1S/C18H12N2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10,19-20H
InChIKey
YCPBCVTUBBBNJJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c1cc3[nH]c4c(c3cc1[nH]2)cccc4
Isomeric Smiles
c1ccc2c(c1)c1c([nH]2)cc2c(c1)[nH]c1c2cccc1
Calculated Properties
JChem
Acid pKa
14.391303
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
4.2085257
LogD (pH = 7.4)
4.2085257
Log P
4.2085257
Molar Refractivity
80.8864
Polarizability
36.301723
Polar Surface Area
31.58
Rotatable Bonds
0
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