Molecule

ID:2376

General Information
Structure
MolImage
Molecular Formula
C₂HCl₃O
Molecular Mass
147.38774
Exact Mass
145.90929769
Charge
0
InChI
InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
InChIKey
HFFLGKNGCAIQMO-UHFFFAOYSA-N
Canonic Smiles
O=CC(Cl)(Cl)Cl
Isomeric Smiles
ClC(Cl)(Cl)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3704264
LogD (pH = 7.4)
1.3704264
Log P
1.3704264
Molar Refractivity
27.2329
Polarizability
10.378132
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.38
LOG S
-1.67
Solubility (Water)
3.15e+00 g/l
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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