Molecule

ID:25935

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇ClN₂O₃
Molecular Mass
356.80288
Exact Mass
356.09277009
Charge
0
InChI
InChI=1S/C19H17ClN2O3/c1-24-17-8-7-13(9-18(17)25-2)19-15(12-23)11-22(21-19)10-14-5-3-4-6-16(14)20/h3-9,11-12H,10H2,1-2H3
InChIKey
XPRKPCYQDYSJGU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl
Isomeric Smiles
c1(c(nn(c1)Cc1c(Cl)cccc1)c1cc(c(cc1)OC)OC)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.1598344
LogD (pH = 7.4)
4.1598587
Log P
4.159859
Molar Refractivity
108.6534
Polarizability
38.23812
Polar Surface Area
53.35
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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