Molecule

ID:88288

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O
Molecular Mass
217.0918
Exact Mass
216.0108703
Charge
0
InChI
InChI=1S/C10H10Cl2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6H,2-3H2,1H3
InChIKey
FXCJYMLJTUZGDU-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
O=C(c1ccc(cc1Cl)Cl)CCC
Calculated Properties
JChem
Acid pKa
16.80496
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.884087
LogD (pH = 7.4)
3.884087
Log P
3.884087
Molar Refractivity
55.2983
Polarizability
21.521528
Polar Surface Area
17.07
Rotatable Bonds
3
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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