Molecule

ID:67449

General Information
Structure
MolImage
Molecular Formula
C₅HCl₃N₂O
Molecular Mass
211.43324
Exact Mass
209.9154457
Charge
0
InChI
InChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
InChIKey
KVJIRFGNHAAUNQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)nc(nc1Cl)Cl
Isomeric Smiles
c1(nc(c(c(n1)Cl)C=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3192317
LogD (pH = 7.4)
2.3192317
Log P
2.3192317
Molar Refractivity
46.5371
Polarizability
16.64636
Polar Surface Area
42.85
Rotatable Bonds
1
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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