Molecule

ID:90266

General Information
Structure
MolImage
Molecular Formula
C₃H₄Cl₃NO
Molecular Mass
176.42896
Exact Mass
174.93584679
Charge
0
InChI
InChI=1S/C3H4Cl3NO/c1-8-2(7)3(4,5)6/h7H,1H3
InChIKey
OGBINJLTBZWRRB-UHFFFAOYSA-N
Canonic Smiles
COC(=N)C(Cl)(Cl)Cl
Isomeric Smiles
O(C(=N)C(Cl)(Cl)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.653523
LogD (pH = 7.4)
1.6545188
Log P
1.6545316
Molar Refractivity
45.6683
Polarizability
13.51017
Polar Surface Area
33.08
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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