Molecule

ID:13425

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-2-6-10-9(3-1)7-11-8-4-5-8/h1-3,6,8,11H,4-5,7H2
InChIKey
SVMBYSXPVZASTL-UHFFFAOYSA-N
Canonic Smiles
c1ccc(nc1)CNC1CC1
Isomeric Smiles
c1ccnc(c1)CNC1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7352366
LogD (pH = 7.4)
-0.007205689
Log P
0.86095864
Molar Refractivity
43.8381
Polarizability
17.604605
Polar Surface Area
24.92
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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