Molecule

ID:24415

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂
Molecular Mass
84.11972
Exact Mass
84.06874827
Charge
0
InChI
InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
InChIKey
UNIJBMUBHBAUET-UHFFFAOYSA-N
Canonic Smiles
CNCCC#N
Isomeric Smiles
N#CCCNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8104625
LogD (pH = 7.4)
-1.0805062
Log P
-0.41993356
Molar Refractivity
24.4567
Polarizability
9.464999
Polar Surface Area
35.82
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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