Molecule

ID:63534

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-6-2-4-9-8-7(6)3-5-10-8/h2-5H,1H3,(H,9,10)
InChIKey
KEBIZMQVCXHCGN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnc2c1cc[nH]2
Isomeric Smiles
c12cc[nH]c1nccc2C
Calculated Properties
JChem
Acid pKa
15.563978
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5264212
LogD (pH = 7.4)
1.7316576
Log P
1.7352189
Molar Refractivity
39.9814
Polarizability
15.761918
Polar Surface Area
28.68
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation