Molecule
ID:123809
General Information
Molecular Formula
C₁₅H₁₃N₃
Molecular Mass
235.28382
Exact Mass
235.11094743
Charge
0
InChI
InChI=1S/C15H13N3/c16-15-14(12-7-3-1-4-8-12)11-17-18(15)13-9-5-2-6-10-13/h1-11H,16H2
InChIKey
OGWIUGFQFNQLNI-UHFFFAOYSA-N
Canonic Smiles
Nc1c(cnn1c1ccccc1)c1ccccc1
Isomeric Smiles
c1(c(cnn1c1ccccc1)c1ccccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.965993
LogD (pH = 7.4)
2.9666464
Log P
2.9666548
Molar Refractivity
73.5096
Polarizability
29.626787
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...