Molecule

ID:101765

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂NO
Molecular Mass
282.16512
Exact Mass
281.0374194
Charge
0
InChI
InChI=1S/C14H13Cl2NO/c1-9-7-13(14(18)8-15)10(2)17(9)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3
InChIKey
OYEPFHWXRWTABW-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1cc(n(c1C)c1ccc(cc1)Cl)C
Isomeric Smiles
c1(c(n(c(c1)C)c1ccc(cc1)Cl)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.319805
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0084
LogD (pH = 7.4)
3.0084
Log P
3.0084
Molar Refractivity
86.0706
Polarizability
29.246483
Polar Surface Area
22.0
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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