Molecule

ID:89936

General Information
Structure
Molecular Formula
C₁₀H₉NO₃
Molecular Mass
191.18336
Exact Mass
191.05824315
Charge
0
InChI
InChI=1S/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)
InChIKey
YFTGUNWFFVDLNM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)NC(=O)C2
Isomeric Smiles
N1c2c(ccc(c2)C(=O)OC)CC1=O
Calculated Properties
JChem
Acid pKa
11.590595
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0755268
LogD (pH = 7.4)
1.0754992
Log P
1.0755272
Molar Refractivity
51.6102
Polarizability
18.928991
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
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Molecule Details
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References
Bioactivity
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