Molecule

ID:29926

General Information
Structure
MolImage
Molecular Formula
C₅HCl₃N₂O
Molecular Mass
211.43324
Exact Mass
209.9154457
Charge
0
InChI
InChI=1S/C5HCl3N2O/c6-3-2(4(7)11)1-9-5(8)10-3/h1H
InChIKey
DZTIFMWYYHCREC-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)Cl)C(=O)Cl
Isomeric Smiles
C(=O)(c1c(nc(nc1)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9734203
LogD (pH = 7.4)
1.9734203
Log P
1.9734203
Molar Refractivity
45.2017
Polarizability
16.559912
Polar Surface Area
42.85
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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