Molecule

ID:11376

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂
Molecular Mass
84.11972
Exact Mass
84.06874827
Charge
0
InChI
InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3
InChIKey
JQULXIOYDDCNGR-UHFFFAOYSA-N
Canonic Smiles
N#CC(N)(C)C
Isomeric Smiles
N#CC(N)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.48835
LogD (pH = 7.4)
-0.20552164
Log P
-0.087996565
Molar Refractivity
24.1899
Polarizability
9.464999
Polar Surface Area
49.81
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
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Molecule Details
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References
Bioactivity
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