Molecule

ID:52451

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11)
InChIKey
XSXYESVZDBAKKT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccccc1O
Isomeric Smiles
C(=O)(c1c(cccc1)O)NN
Calculated Properties
JChem
Acid pKa
8.113841
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.87240666
LogD (pH = 7.4)
0.7977104
Log P
0.8738451
Molar Refractivity
41.6014
Polarizability
15.215739
Polar Surface Area
75.35
Rotatable Bonds
1
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
References
Bioactivity
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