Molecule

ID:28626

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-10(13)8-6-11-14-9(8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey
VUVDFZMYJYNLCH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnoc1c1ccccc1
Isomeric Smiles
c1(c(onc1)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1313744
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1787398
LogD (pH = 7.4)
-1.5163714
Log P
1.5626006
Molar Refractivity
49.7699
Polarizability
19.605394
Polar Surface Area
63.33
Rotatable Bonds
2
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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