Molecule

ID:56202

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₄
Molecular Mass
323.34258
Exact Mass
323.11575803
Charge
0
InChI
InChI=1S/C19H17NO4/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-9-8-13(19(23)24)10-15(14)18(20)22/h5-10H,3-4H2,1-2H3,(H,23,24)
InChIKey
GTYJWAXDSFDPFA-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1N1C(=O)c2c(C1=O)ccc(c2)C(=O)O)CC
Isomeric Smiles
C1(=O)c2c(C(=O)N1c1c(cccc1CC)CC)ccc(c2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4904125
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1477222
LogD (pH = 7.4)
0.7703915
Log P
4.1486206
Molar Refractivity
90.5297
Polarizability
33.63923
Polar Surface Area
74.68
Rotatable Bonds
4
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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