Molecule

ID:78356

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂
Molecular Mass
158.1998
Exact Mass
158.08439833
Charge
0
InChI
InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2
InChIKey
YFOOEYJGMMJJLS-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1c(N)ccc2
Isomeric Smiles
Nc1c2c(cccc2ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2587748
LogD (pH = 7.4)
1.3042595
Log P
1.3048706
Molar Refractivity
51.909
Polarizability
20.209873
Polar Surface Area
52.04
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
References
Bioactivity
Navigation