Molecule

ID:74318

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆ClNO₃
Molecular Mass
305.75614
Exact Mass
305.08187106
Charge
0
InChI
InChI=1S/C16H15NO3.ClH/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12;/h1-9,14H,10,17H2,(H,19,20);1H
InChIKey
XVJIYFOSPMCXHG-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)Cc1ccc(cc1)C(=O)c1ccccc1.Cl
Isomeric Smiles
NC(Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
1.5924172
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.27443883
LogD (pH = 7.4)
0.26818284
Log P
0.27439776
Molar Refractivity
75.6918
Polarizability
29.533663
Polar Surface Area
80.39
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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