Molecule

ID:90756

General Information
Structure
MolImage
Molecular Formula
C₃H₆Cl₂O
Molecular Mass
128.98514
Exact Mass
127.97957017
Charge
0
InChI
InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
DEWLEGDTCGBNGU-UHFFFAOYSA-N
Canonic Smiles
ClCC(CCl)O
Isomeric Smiles
OC(CCl)CCl
Calculated Properties
JChem
Acid pKa
13.584863
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.8701697
LogD (pH = 7.4)
0.8701694
Log P
0.8701697
Molar Refractivity
26.6181
Polarizability
10.68526
Polar Surface Area
20.23
Rotatable Bonds
2
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
References
Bioactivity
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