Molecule

ID:59386

General Information
Structure
MolImage
Molecular Formula
C₅H₇Cl₃O
Molecular Mass
189.46748
Exact Mass
187.95624788
Charge
0
InChI
InChI=1S/C5H7Cl3O/c6-4-5(7,8)2-1-3-9-4/h4H,1-3H2
InChIKey
ZAKVZNJDGLAPHL-UHFFFAOYSA-N
Canonic Smiles
ClC1OCCCC1(Cl)Cl
Isomeric Smiles
C1COC(C(C1)(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6986766
LogD (pH = 7.4)
2.6986766
Log P
2.6986766
Molar Refractivity
39.7364
Polarizability
15.624973
Polar Surface Area
9.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
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References
Bioactivity
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