Molecule

ID:50278

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-2-8(6-10-4-1)9-3-5-11-7-9/h1-2,4,6,9,11H,3,5,7H2
InChIKey
JNZDYUPZUHCHFK-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)c1cccnc1
Isomeric Smiles
N1CC(c2cnccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7484362
LogD (pH = 7.4)
-2.5205472
Log P
0.49402335
Molar Refractivity
44.6441
Polarizability
17.526463
Polar Surface Area
24.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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