Molecule

ID:85209

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₃NO₂
Molecular Mass
240.47116
Exact Mass
238.93076141
Charge
0
InChI
InChI=1S/C7H4Cl3NO2/c1-13-7(12)6-5(10)4(9)3(8)2-11-6/h2H,1H3
InChIKey
UPNBECMDFZBTBD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncc(c(c1Cl)Cl)Cl
Isomeric Smiles
n1cc(c(c(c1C(=O)OC)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7570348
LogD (pH = 7.4)
2.7570348
Log P
2.7570348
Molar Refractivity
49.9688
Polarizability
19.851019
Polar Surface Area
39.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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