Molecule

ID:52258

General Information
Structure
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Molecular Formula
C₅H₆N₂
Molecular Mass
94.11454
Exact Mass
94.0530982
Charge
0
InChI
InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
InChIKey
ICSNLGPSRYBMBD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccn1
Isomeric Smiles
c1(ccccn1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.60386604
LogD (pH = 7.4)
0.42012146
Log P
0.521105
Molar Refractivity
28.915
Polarizability
10.568171
Polar Surface Area
38.91
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
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Related Proteins
No Data Available
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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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