Molecule

ID:112233

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂
Molecular Mass
134.1784
Exact Mass
134.08439833
Charge
0
InChI
InChI=1S/C8H10N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-4H2
InChIKey
MGWYSXZGBRHJNE-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCC(CC1)C#N
Isomeric Smiles
N#CC1CCC(CC1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2287987
LogD (pH = 7.4)
1.2287987
Log P
1.2287987
Molar Refractivity
38.0444
Polarizability
14.42203
Polar Surface Area
47.58
Rotatable Bonds
0
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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