Molecule
ID:41393
General Information
Molecular Formula
C₁₅H₁₆ClNO₃
Molecular Mass
293.74544
Exact Mass
293.08187106
Charge
0
InChI
InChI=1S/C15H16ClNO3/c1-10-13(15(19)20-2)7-8-14(18)17(10)9-11-3-5-12(16)6-4-11/h3-6H,7-9H2,1-2H3
InChIKey
JUYUWPOLWQZNGA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1=C(C)N(C(=O)CC1)Cc1ccc(cc1)Cl
Isomeric Smiles
C1(=C(N(C(=O)CC1)Cc1ccc(Cl)cc1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.315753
LogD (pH = 7.4)
2.315753
Log P
2.315753
Molar Refractivity
77.8535
Polarizability
29.794634
Polar Surface Area
46.61
Rotatable Bonds
4
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
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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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