Molecule

ID:118544

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-7(9)6-8-2-4-10-5-3-8/h2-5,7H,6,9H2,1H3
InChIKey
SCMJZBZLSWJQJO-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccncc1)N
Isomeric Smiles
n1ccc(CC(N)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6848488
LogD (pH = 7.4)
-1.8565553
Log P
0.5865781
Molar Refractivity
41.5483
Polarizability
16.418413
Polar Surface Area
38.91
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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