Molecule

ID:69990

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂
Molecular Mass
96.13042
Exact Mass
96.06874827
Charge
0
InChI
InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3
InChIKey
SZQCPPRPWDXLMM-UHFFFAOYSA-N
Canonic Smiles
Cc1cnn(c1)C
Isomeric Smiles
n1(ncc(c1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.914394
LogD (pH = 7.4)
0.91452557
Log P
0.91452724
Molar Refractivity
40.0026
Polarizability
10.657912
Polar Surface Area
17.82
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