Molecule

ID:50603

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c10-6-4-11-7-5(9-6)2-1-3-8-7/h1-3H,4H2,(H,9,10)
InChIKey
ORNSLMJWQDGQFF-UHFFFAOYSA-N
Canonic Smiles
C1Oc2ncccc2NC1=O
Isomeric Smiles
c1cnc2c(c1)NC(=O)CO2
Calculated Properties
JChem
Acid pKa
10.863737
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.13117597
LogD (pH = 7.4)
0.13125442
Log P
0.13139905
Molar Refractivity
38.9817
Polarizability
14.312873
Polar Surface Area
51.22
Rotatable Bonds
0
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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