Molecule
ID:121479
General Information
Molecular Formula
C₁₅H₁₂ClNO₄
Molecular Mass
305.71308
Exact Mass
305.04548555
Charge
0
InChI
InChI=1S/C15H12ClNO4/c16-8-1-3-9(4-2-8)17-7-15-6-5-10(21-15)11(14(19)20)12(15)13(17)18/h1-6,10-12H,7H2,(H,19,20)
InChIKey
MWORSPXVTCBYLG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)Cl)O2
Isomeric Smiles
C12C(=O)N(CC31OC(C2C(=O)O)C=C3)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.8292587
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.25640956
LogD (pH = 7.4)
-1.8311689
Log P
1.4175321
Molar Refractivity
74.5339
Polarizability
28.848543
Polar Surface Area
66.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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