Molecule

ID:87889

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂
Molecular Mass
220.26918
Exact Mass
220.10004839
Charge
0
InChI
InChI=1S/C15H12N2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H,(H2,16,17)
InChIKey
CIHDZAQRRFHMLW-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2ccccc2cc1c1ccccc1
Isomeric Smiles
n1c(c(cc2ccccc12)c1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0881891
LogD (pH = 7.4)
3.533368
Log P
3.5436573
Molar Refractivity
70.1294
Polarizability
29.279322
Polar Surface Area
38.91
Rotatable Bonds
1
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