Molecule

ID:84302

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₀Cl₄N₂O₃
Molecular Mass
432.0849
Exact Mass
429.94455291
Charge
0
InChI
InChI=1S/C17H10Cl4N2O3/c1-8-10(7-25-17(24)9-5-13(20)22-14(21)6-9)16(23-26-8)15-11(18)3-2-4-12(15)19/h2-6H,7H2,1H3
InChIKey
AAYJWMGLGQDAHZ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)C(=O)OCc1c(C)onc1c1c(Cl)cccc1Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)c(c(o1)C)COC(=O)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.937238
LogD (pH = 7.4)
5.9372387
Log P
5.937239
Molar Refractivity
103.2367
Polarizability
39.919758
Polar Surface Area
65.22
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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