Molecule

ID:39583

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-9-7-4-2-1-3-6(7)8(5-11-9)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKey
IMEDZEDITFIMAK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c[nH]c(=O)c2c1cccc2
Isomeric Smiles
c1(c2c(c(=O)[nH]c1)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0360374
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6143056
LogD (pH = 7.4)
-2.6548402
Log P
0.8153169
Molar Refractivity
49.435
Polarizability
18.333292
Polar Surface Area
66.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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