Molecule

ID:75790

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-7-2-4-10-5-3-9-8(10)6-7/h2-6H,1H3
InChIKey
IQDUNRGHZFBKLT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn2c(c1)ncc2
Isomeric Smiles
n12c(ncc1)cc(cc2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.4426655
LogD (pH = 7.4)
1.2113214
Log P
1.2729708
Molar Refractivity
40.9776
Polarizability
15.052674
Polar Surface Area
17.3
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