Molecule

ID:85961

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂
Molecular Mass
96.13042
Exact Mass
96.06874827
Charge
0
InChI
InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKey
PQAMFDRRWURCFQ-UHFFFAOYSA-N
Canonic Smiles
CCc1ncc[nH]1
Isomeric Smiles
[nH]1c(ncc1)CC
Calculated Properties
JChem
Acid pKa
13.795824
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.33961314
LogD (pH = 7.4)
0.41661963
Log P
0.6783764
Molar Refractivity
28.0804
Polarizability
10.744448
Polar Surface Area
28.68
Rotatable Bonds
1
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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