Molecule

ID:22459

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂
Molecular Mass
96.13042
Exact Mass
96.06874827
Charge
0
InChI
InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4H,1-2H3
InChIKey
LSZQMSSIUQNTDX-UHFFFAOYSA-N
Canonic Smiles
Cn1nccc1C
Isomeric Smiles
n1(nccc1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.60025156
LogD (pH = 7.4)
0.60066193
Log P
0.6006672
Molar Refractivity
40.1111
Polarizability
10.656567
Polar Surface Area
17.82
Rotatable Bonds
0
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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