Molecule

ID:60355

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₃N₂O
Molecular Mass
255.52886
Exact Mass
253.97804596
Charge
0
InChI
InChI=1S/C8H9Cl3N2O/c1-4-6(5(2)13(3)12-4)7(14)8(9,10)11/h1-3H3
InChIKey
YRJNSDHSHJFCAP-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1C(=O)C(Cl)(Cl)Cl)C)C
Isomeric Smiles
n1(c(c(c(n1)C)C(=O)C(Cl)(Cl)Cl)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0415263
LogD (pH = 7.4)
2.0420663
Log P
2.0420732
Molar Refractivity
70.62
Polarizability
21.901604
Polar Surface Area
34.89
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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