Molecule

ID:50330

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-6H,1,4,10-11H2
InChIKey
VEMJTFKCHDTFMC-UHFFFAOYSA-N
Canonic Smiles
Nc1c(CC=C)cccc1N
Isomeric Smiles
c1(c(N)cccc1CC=C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3811473
LogD (pH = 7.4)
1.4135355
Log P
1.4139646
Molar Refractivity
49.7461
Polarizability
17.915829
Polar Surface Area
52.04
Rotatable Bonds
2
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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