Molecule

ID:22458

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂
Molecular Mass
96.13042
Exact Mass
96.06874827
Charge
0
InChI
InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3
InChIKey
NODLZCJDRXTSJO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn(n1)C
Isomeric Smiles
c1(C)nn(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.5313042
LogD (pH = 7.4)
0.5324613
Log P
0.53247607
Molar Refractivity
39.5529
Polarizability
10.655246
Polar Surface Area
17.82
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
No Data Available
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Molecule Details
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References
Bioactivity
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