Molecule

ID:109669

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
InChIKey
RLYCRLGLCUXUPO-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1C)N
Isomeric Smiles
Cc1c(N)cccc1N
Calculated Properties
JChem
LogD (pH = 7.4)
0.83
LogD (pH = 5.5)
0.63
Log P
0.83
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
5.28
Polar Surface Area
52.04
Polarizability
13.64
Molar Refractivity
40.50
LOG S
-1.29
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation