Molecule

ID:33697

General Information
Structure
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c1-4-9-7(3)5-6(2)8-9/h5H,4H2,1-3H3
InChIKey
WBTANXHOAUWNIK-UHFFFAOYSA-N
Canonic Smiles
CCn1nc(cc1C)C
Isomeric Smiles
n1n(c(cc1C)C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0857649
LogD (pH = 7.4)
1.0888064
Log P
1.0888454
Molar Refractivity
49.4512
Polarizability
14.259983
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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