Molecule

ID:74608

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO₃
Molecular Mass
341.78824
Exact Mass
341.08187106
Charge
0
InChI
InChI=1S/C19H16ClNO3/c20-18-16(21-15-9-5-4-8-14(15)19(23)24)10-13(11-17(18)22)12-6-2-1-3-7-12/h1-9,13,21H,10-11H2,(H,23,24)
InChIKey
DUDBSNUOWCTOLM-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(CC(=C1Cl)Nc1ccccc1C(=O)O)c1ccccc1
Isomeric Smiles
N(C1=C(C(=O)CC(C1)c1ccccc1)Cl)c1ccccc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.9119813
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.6167746
LogD (pH = 7.4)
1.0035639
Log P
4.2109237
Molar Refractivity
96.0686
Polarizability
35.381996
Polar Surface Area
66.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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