Molecule
ID:120989
General Information
Molecular Formula
C₄H₈N₂
Molecular Mass
84.11972
Exact Mass
84.06874827
Charge
0
InChI
InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h1-3H2,(H2,5,6)
InChIKey
NJBMZYSKLWQXLJ-UHFFFAOYSA-N
Canonic Smiles
NC1=NCCC1
Isomeric Smiles
N1=C(N)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9251766
LogD (pH = 7.4)
-2.9202378
Log P
-0.5097811
Molar Refractivity
24.4371
Polarizability
9.232384
Polar Surface Area
38.38
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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