Molecule

ID:25936

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆Cl₂N₂O₃
Molecular Mass
391.24794
Exact Mass
390.05379774
Charge
0
InChI
InChI=1S/C19H16Cl2N2O3/c1-25-17-7-6-12(8-18(17)26-2)19-13(11-24)9-23(22-19)10-14-15(20)4-3-5-16(14)21/h3-9,11H,10H2,1-2H3
InChIKey
IMNCFBAYXDJRRS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1ccc(c(c1)OC)OC)Cc1c(Cl)cccc1Cl
Isomeric Smiles
c1(c(nn(c1)Cc1c(Cl)cccc1Cl)c1cc(c(cc1)OC)OC)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.7638793
LogD (pH = 7.4)
4.7639036
Log P
4.7639036
Molar Refractivity
113.4582
Polarizability
40.124428
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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