Molecule

ID:60303

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-6(2)9-5-4-7(3)8-9/h4-6H,1-3H3
InChIKey
WVFOKFFWKPBELZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn(n1)C(C)C
Isomeric Smiles
n1(ccc(n1)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3048393
LogD (pH = 7.4)
1.3058462
Log P
1.305859
Molar Refractivity
48.7203
Polarizability
14.339536
Polar Surface Area
17.82
Rotatable Bonds
1
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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