Molecule

ID:37014

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₄
Molecular Mass
323.34258
Exact Mass
323.11575803
Charge
0
InChI
InChI=1S/C19H17NO4/c1-3-10-24-19(23)13-6-9-15-16(11-13)18(22)20(17(15)21)14-7-4-12(2)5-8-14/h4-9,11H,3,10H2,1-2H3
InChIKey
IVCCHSASNFDWCQ-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C
Isomeric Smiles
c1cc(cc2c1C(=O)N(C2=O)c1ccc(cc1)C)C(=O)OCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9712863
LogD (pH = 7.4)
3.9712863
Log P
3.9712863
Molar Refractivity
90.3282
Polarizability
33.96433
Polar Surface Area
63.68
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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