Molecule

ID:125124

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂
Molecular Mass
94.11454
Exact Mass
94.0530982
Charge
0
InChI
InChI=1S/C5H6N2/c1-2-4-7-5-6-3-1/h1-4H,5H2
InChIKey
MSRJJSCOWHWGGX-UHFFFAOYSA-N
Canonic Smiles
C1N=CC=CC=N1
Isomeric Smiles
C1N=CC=CC=N1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.0066880193
LogD (pH = 7.4)
0.052488036
Log P
0.053104322
Molar Refractivity
29.5043
Polarizability
10.422352
Polar Surface Area
24.72
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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