Molecule

ID:88649

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,8H2,(H,9,10)
InChIKey
CLCPWTXGFUIRJE-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2c([nH]1)cccc2N
Isomeric Smiles
o1c2c(cccc2[nH]c1=O)N
Calculated Properties
JChem
Acid pKa
9.465267
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.50247633
LogD (pH = 7.4)
0.4991636
Log P
0.5027007
Molar Refractivity
40.9646
Polarizability
14.488412
Polar Surface Area
64.35
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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