Molecule

ID:43885

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c1-9-7-3-2-6(4-8)5-10-7/h2-3,5H,1H3,(H,9,10)
InChIKey
OFCRHTLXDCWARW-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cn1)C#N
Isomeric Smiles
c1c(cnc(c1)NC)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6781251
LogD (pH = 7.4)
0.6788954
Log P
0.67890525
Molar Refractivity
40.13
Polarizability
14.240573
Polar Surface Area
48.71
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