Molecule

ID:119024

General Information
Structure
Molecular Formula
C₁₇H₁₃NO₄
Molecular Mass
295.28942
Exact Mass
295.0844579
Charge
0
InChI
InChI=1S/C17H13NO4/c1-22-15-7-6-11(10-19)8-12(15)9-18-16(20)13-4-2-3-5-14(13)17(18)21/h2-8,10H,9H2,1H3
InChIKey
YRHPTEBYNCHWPW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C=O
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)Cc1c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1964033
LogD (pH = 7.4)
2.1964033
Log P
2.1964033
Molar Refractivity
81.8713
Polarizability
29.993683
Polar Surface Area
63.68
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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