Molecule

ID:70528

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇ClN₂O₃
Molecular Mass
356.80288
Exact Mass
356.09277009
Charge
0
InChI
InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3
InChIKey
GKWPCEFFIHSJOE-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C)c1ccccc1
Isomeric Smiles
n1(c(=O)c(c(c2c(cccc12)Cl)O)C(=O)N(c1ccccc1)CC)C
Calculated Properties
JChem
Acid pKa
5.020428
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.952158
LogD (pH = 7.4)
0.3046486
Log P
2.5541253
Molar Refractivity
97.3083
Polarizability
36.80993
Polar Surface Area
60.85
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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