Molecule

ID:71185

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀Cl₃NO₃
Molecular Mass
370.6145
Exact Mass
368.97262623
Charge
0
InChI
InChI=1S/C16H10Cl3NO3/c17-11-6-5-9(7-12(11)18)8-13(19)15(21)20-14-4-2-1-3-10(14)16(22)23/h1-8H,(H,20,21)(H,22,23)/b13-8-
InChIKey
CTDIQJBZKRRDAL-JYRVWZFOSA-N
Canonic Smiles
O=C(/C(=C/c1ccc(c(c1)Cl)Cl)/Cl)Nc1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(cccc1)NC(=O)/C(=C/c1cc(c(cc1)Cl)Cl)/Cl)O
Calculated Properties
JChem
Acid pKa
3.549125
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.5306127
LogD (pH = 7.4)
2.1148875
Log P
5.475013
Molar Refractivity
92.9943
Polarizability
34.516605
Polar Surface Area
66.4
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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