Molecule

ID:44849

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h4-5H,2-3,6H2,1H3,(H,10,11)
InChIKey
HBWCJMBLUCNJIS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)NCCC2
Isomeric Smiles
C1CNc2c(C1)ccc(n2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.33653343
LogD (pH = 7.4)
0.9488422
Log P
1.4386364
Molar Refractivity
46.9105
Polarizability
17.053642
Polar Surface Area
24.92
Rotatable Bonds
0
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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