Molecule

ID:16678

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄ClNO₃
Molecular Mass
303.74026
Exact Mass
303.06622099
Charge
0
InChI
InChI=1S/C16H14ClNO3/c17-9-15(20)18-10-13-8-12(6-7-14(13)19)16(21)11-4-2-1-3-5-11/h1-8,19H,9-10H2,(H,18,20)
InChIKey
LFHJJWCZXLADLA-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCc1cc(ccc1O)C(=O)c1ccccc1
Isomeric Smiles
c1(C(=O)c2ccccc2)cc(c(cc1)O)CNC(=O)CCl
Calculated Properties
JChem
Acid pKa
7.55028
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.607168
LogD (pH = 7.4)
2.38074
Log P
2.6109924
Molar Refractivity
81.2848
Polarizability
31.14216
Polar Surface Area
66.4
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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