Molecule

ID:72169

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂
Molecular Mass
86.1356
Exact Mass
86.08439833
Charge
0
InChI
InChI=1S/C4H10N2/c1-4(2)3-6-5/h6H,1,3,5H2,2H3
InChIKey
WKWPTGYQIHKPSJ-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CNN
Isomeric Smiles
C(=C)(CNN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.21993083
LogD (pH = 7.4)
0.1570028
Log P
0.16449681
Molar Refractivity
38.3404
Polarizability
10.723862
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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