Molecule

ID:87140

General Information
Structure
MolImage
Molecular Formula
C₄H₅Cl₃O₃
Molecular Mass
207.4397
Exact Mass
205.93042706
Charge
0
InChI
InChI=1S/C4H5Cl3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)
InChIKey
PNRIZWCHOZUISE-UHFFFAOYSA-N
Canonic Smiles
OC(C(Cl)(Cl)Cl)CC(=O)O
Isomeric Smiles
O=C(CC(C(Cl)(Cl)Cl)O)O
Calculated Properties
JChem
Acid pKa
3.1691763
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4748515
LogD (pH = 7.4)
-2.6193705
Log P
0.83134204
Molar Refractivity
38.67
Polarizability
15.245383
Polar Surface Area
57.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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