Molecule

ID:106680

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂
Molecular Mass
98.1463
Exact Mass
98.08439833
Charge
0
InChI
InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
InChIKey
MTPJEFOSTIKRSS-UHFFFAOYSA-N
Canonic Smiles
N#CCCN(C)C
Isomeric Smiles
CN(C)CCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.4729714
LogD (pH = 7.4)
-0.16196626
Log P
-0.036885623
Molar Refractivity
29.7514
Polarizability
11.307113
Polar Surface Area
27.03
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
References
Bioactivity
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