Molecule

ID:56532

General Information
Structure
MolImage
Molecular Formula
C₁₇H₉Cl₂NO₃
Molecular Mass
346.16426
Exact Mass
344.99594851
Charge
0
InChI
InChI=1S/C17H9Cl2NO3/c18-10-2-3-13-11(6-10)12(17(19)21)7-14(20-13)9-1-4-15-16(5-9)23-8-22-15/h1-7H,8H2
InChIKey
XSMANLZDWMAKDF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)c1ccc2c(c1)OCO2)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1cc3c(OCO3)cc1)ccc(c2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.5821633
LogD (pH = 7.4)
4.5821667
Log P
4.5821667
Molar Refractivity
86.4299
Polarizability
35.96132
Polar Surface Area
48.42
Rotatable Bonds
2
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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