Molecule

ID:22378

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-2-9(11-5-1)8-3-6-10-7-4-8/h3-4,6-7,9,11H,1-2,5H2
InChIKey
GDGNPIOGJLCICG-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1ccncc1
Isomeric Smiles
c1(C2NCCC2)ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.451971
LogD (pH = 7.4)
-1.9707884
Log P
0.7794868
Molar Refractivity
44.3603
Polarizability
17.602995
Polar Surface Area
24.92
Rotatable Bonds
1
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