Molecule

ID:12463

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₄
Molecular Mass
207.18276
Exact Mass
207.05315777
Charge
0
InChI
InChI=1S/C10H9NO4/c12-5-1-2-6-7(3-5)10(15)11-8(6)4-9(13)14/h1-3,8,12H,4H2,(H,11,15)(H,13,14)
InChIKey
OTPZTZLQLBZERG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1NC(=O)c2c1ccc(c2)O
Isomeric Smiles
c1(cc2c(cc1)C(NC2=O)CC(=O)O)O
Calculated Properties
JChem
Acid pKa
3.5599048
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.664258
LogD (pH = 7.4)
-3.1043205
Log P
0.2699873
Molar Refractivity
51.0228
Polarizability
19.18121
Polar Surface Area
86.63
Rotatable Bonds
2
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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