Molecule

ID:72197

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂
Molecular Mass
98.1463
Exact Mass
98.08439833
Charge
0
InChI
InChI=1S/C5H10N2/c1-5(4-6)7(2)3/h5H,1-3H3
InChIKey
GQJKKKULUSFWSC-UHFFFAOYSA-N
Canonic Smiles
CC(N(C)C)C#N
Isomeric Smiles
N(C)(C)C(C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.099968724
LogD (pH = 7.4)
0.2868331
Log P
0.29486588
Molar Refractivity
29.5459
Polarizability
11.307113
Polar Surface Area
27.03
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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