Molecule

ID:14280

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₅
Molecular Mass
275.25672
Exact Mass
275.07937252
Charge
0
InChI
InChI=1S/C14H13NO5/c16-10-5-3-9(4-6-10)8-11(14(18)19)15-13(17)12-2-1-7-20-12/h1-7,11,16H,8H2,(H,15,17)(H,18,19)
InChIKey
QUOPBTWUZBWSAF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NC(=O)c1ccco1)Cc1ccc(cc1)O
Isomeric Smiles
c1(C(=O)NC(Cc2ccc(cc2)O)C(=O)O)ccco1
Calculated Properties
JChem
Acid pKa
3.6851132
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.30591282
LogD (pH = 7.4)
-1.8074719
Log P
1.5073174
Molar Refractivity
69.6024
Polarizability
26.364527
Polar Surface Area
99.77
Rotatable Bonds
5
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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