Molecule

ID:59454

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂O
Molecular Mass
140.99584
Exact Mass
139.97957017
Charge
0
InChI
InChI=1S/C4H6Cl2O/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
InChIKey
KRHRPJKHUHTSDK-UHFFFAOYSA-N
Canonic Smiles
OCC1CC1(Cl)Cl
Isomeric Smiles
C(O)C1C(C1)(Cl)Cl
Calculated Properties
JChem
Acid pKa
15.369106
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.99114066
LogD (pH = 7.4)
0.99114066
Log P
0.99114066
Molar Refractivity
30.2201
Polarizability
11.808373
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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