Molecule

ID:56180

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄ClNO₃
Molecular Mass
303.74026
Exact Mass
303.06622099
Charge
0
InChI
InChI=1S/C16H14ClNO3/c1-10(15(19)11-2-6-13(17)7-3-11)21-16(20)12-4-8-14(18)9-5-12/h2-10H,18H2,1H3
InChIKey
SVVXUELLJUNPJJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)OC(C(=O)c1ccc(cc1)Cl)C
Isomeric Smiles
c1cc(ccc1C(=O)OC(C)C(=O)c1ccc(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
13.888773
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5522656
LogD (pH = 7.4)
3.552821
Log P
3.552828
Molar Refractivity
81.9841
Polarizability
31.09878
Polar Surface Area
69.39
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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