Molecule

ID:102628

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₄ClNO₃
Molecular Mass
339.77236
Exact Mass
339.06622099
Charge
0
InChI
InChI=1S/C19H14ClNO3/c20-15-6-8-16(9-7-15)21-18(22)12-19(23)24-17-10-5-13-3-1-2-4-14(13)11-17/h1-11H,12H2,(H,21,22)
InChIKey
VLNZHZOMXPZLJC-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)Cl)CC(=O)Oc1ccc2c(c1)cccc2
Isomeric Smiles
Clc1ccc(NC(=O)CC(=O)Oc2ccc3ccccc3c2)cc1
Calculated Properties
JChem
Acid pKa
12.950833
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6659
LogD (pH = 7.4)
3.5771656
Log P
4.5005584
Molar Refractivity
93.0668
Polarizability
36.74543
Polar Surface Area
55.4
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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