Molecule

ID:42491

General Information
Structure
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-7-3-2-4-8-9-5-6-10(7)8/h2-6H,1H3
InChIKey
YFSMYPDRRLSNTH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2n1ccn2
Isomeric Smiles
n12c(ncc2)cccc1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.121721946
LogD (pH = 7.4)
0.8950867
Log P
0.95911074
Molar Refractivity
41.0861
Polarizability
15.052491
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