Molecule

ID:25002

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-14-6-2-3-7-8(5-12)10(13)11-9(7)4-6/h2-5,8H,1H3,(H,11,13)
InChIKey
CLLHIWRIFVFCEA-UHFFFAOYSA-N
Canonic Smiles
O=CC1C(=O)Nc2c1ccc(c2)OC
Isomeric Smiles
C1(=O)Nc2c(C1C=O)ccc(c2)OC
Calculated Properties
JChem
Acid pKa
5.6374454
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.25291944
LogD (pH = 7.4)
-1.2639452
Log P
0.49044156
Molar Refractivity
51.4144
Polarizability
18.940498
Polar Surface Area
55.4
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
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References
Bioactivity
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