Molecule

ID:58313

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H,8,9)
InChIKey
RFXJLECGYGFJCI-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ncc[nH]1)C
Isomeric Smiles
c1c[nH]c(n1)CC(C)C
Calculated Properties
JChem
Acid pKa
13.745669
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.39823937
LogD (pH = 7.4)
1.1685114
Log P
1.4099641
Molar Refractivity
37.23
Polarizability
14.430119
Polar Surface Area
28.68
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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