Molecule

ID:124284

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c15-11-9(12(16)17)7-13-10(14-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)(H,13,14,15)
InChIKey
CQGRPRHGLJHRRU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc([nH]c1=O)Cc1ccccc1
Isomeric Smiles
c1(c(=O)[nH]c(nc1)Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.839496
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.75157595
LogD (pH = 7.4)
-2.3313386
Log P
0.91249895
Molar Refractivity
60.1459
Polarizability
22.88819
Polar Surface Area
78.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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