Molecule

ID:20093

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO₃
Molecular Mass
291.72956
Exact Mass
291.06622099
Charge
0
InChI
InChI=1S/C15H14ClNO3/c1-19-15(18)8-10-2-5-12(6-3-10)20-14-7-4-11(17)9-13(14)16/h2-7,9H,8,17H2,1H3
InChIKey
CLKCFEFPHXAMLH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(cc1)Oc1ccc(cc1Cl)N
Isomeric Smiles
c1(c(cc(N)cc1)Cl)Oc1ccc(CC(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0267193
LogD (pH = 7.4)
3.0322235
Log P
3.032294
Molar Refractivity
77.8807
Polarizability
29.981117
Polar Surface Area
61.55
Rotatable Bonds
5
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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