Molecule

ID:24673

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,(H,12,13)
InChIKey
MCVMLYSLPCECGO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cncc2c1cccc2
Isomeric Smiles
c1(C(=O)O)c2c(cnc1)cccc2
Calculated Properties
JChem
Acid pKa
2.0323195
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.0843859
LogD (pH = 7.4)
-1.6186936
Log P
0.30655184
Molar Refractivity
47.6075
Polarizability
19.269424
Polar Surface Area
50.19
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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