Molecule

ID:60745

General Information
Structure
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
297.3053
Exact Mass
297.10010797
Charge
0
InChI
InChI=1S/C17H15NO4/c1-9-3-2-4-10(5-9)11-6-14-12(15(19)7-11)8-13(17(21)22)16(20)18-14/h2-5,8,11H,6-7H2,1H3,(H,18,20)(H,21,22)
InChIKey
BQHVUWPWPPZONV-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C1CC(=O)c2c(C1)[nH]c(=O)c(c2)C(=O)O
Isomeric Smiles
c1(c(=O)[nH]c2c(c1)C(=O)CC(C2)c1cc(ccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.848299
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.16430151
LogD (pH = 7.4)
-1.4197918
Log P
1.8198652
Molar Refractivity
81.9215
Polarizability
30.3842
Polar Surface Area
83.47
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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