Molecule

ID:85306

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂
Molecular Mass
162.23156
Exact Mass
162.11569846
Charge
0
InChI
InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
InChIKey
MTXSIJUGVMTTMU-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)c1cccnc1
Isomeric Smiles
N1C(c2cccnc2)CCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.37
LogD (pH = 5.5)
-1.83
Log P
1.22
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.00
Polar Surface Area
24.92
Polarizability
18.64
Molar Refractivity
48.96
LOG S
-0.53
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