Molecule

ID:56602

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅Cl₂NO₃
Molecular Mass
376.2333
Exact Mass
375.04289871
Charge
0
InChI
InChI=1S/C19H15Cl2NO3/c1-10-15(20)6-5-12-13(19(21)23)9-16(22-18(10)12)14-8-11(24-2)4-7-17(14)25-3/h4-9H,1-3H3
InChIKey
ZHZQGDADAPWDBG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl)OC
Isomeric Smiles
c12nc(c3c(ccc(c3)OC)OC)cc(c1ccc(c2C)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.1570115
LogD (pH = 7.4)
5.1570125
Log P
5.1570125
Molar Refractivity
98.6306
Polarizability
40.30652
Polar Surface Area
48.42
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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