Molecule

ID:89568

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-8-7(11)6-3-2-5(10)4-9-6/h2-4,10H,1H3,(H,8,11)
InChIKey
VEVQBSJYFWZLQU-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1ccc(cn1)O
Isomeric Smiles
Oc1cnc(cc1)C(=O)NC
Calculated Properties
JChem
Acid pKa
7.84274
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.08977003
LogD (pH = 7.4)
-0.21853021
Log P
-0.087825246
Molar Refractivity
39.4851
Polarizability
14.761919
Polar Surface Area
62.22
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
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Molecule Details
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References
Bioactivity
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