Molecule

ID:57083

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₄
Molecular Mass
283.27872
Exact Mass
283.0844579
Charge
0
InChI
InChI=1S/C16H13NO4/c1-9-3-6-15(21-9)14-8-12(16(18)19)11-7-10(20-2)4-5-13(11)17-14/h3-8H,1-2H3,(H,18,19)
InChIKey
OXBVROWWURYIFD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(cc(n2)c1ccc(o1)C)C(=O)O
Isomeric Smiles
c1c2c(ccc1OC)nc(cc2C(=O)O)c1oc(cc1)C
Calculated Properties
JChem
Acid pKa
3.5706034
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.99978465
LogD (pH = 7.4)
-0.42944852
Log P
2.9236958
Molar Refractivity
76.0035
Polarizability
31.379461
Polar Surface Area
72.56
Rotatable Bonds
3
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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