Molecule

ID:68565

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃
Molecular Mass
109.12918
Exact Mass
109.06399724
Charge
0
InChI
InChI=1S/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)
InChIKey
VHNQIURBCCNWDN-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(n1)N
Isomeric Smiles
c1(cccc(n1)N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6841582
LogD (pH = 7.4)
-0.9713475
Log P
0.28663653
Molar Refractivity
33.9289
Polarizability
11.708931
Polar Surface Area
64.93
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
No Data Available
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Molecule Details
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References
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Bioactivity
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