Molecule

ID:112552

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3
InChIKey
ZVQXQPNJHRNGID-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C#N)(C)C)(C)C
Isomeric Smiles
CC(C)(C#N)C(C)(C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9154159
LogD (pH = 7.4)
1.9154159
Log P
1.9154159
Molar Refractivity
39.6466
Polarizability
15.147438
Polar Surface Area
47.58
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
References
Bioactivity
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