Molecule

ID:42743

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₂
Molecular Mass
281.134
Exact Mass
280.00578492
Charge
0
InChI
InChI=1S/C14H10Cl2O2/c1-18-14(17)10-4-2-9(3-5-10)11-6-7-12(15)13(16)8-11/h2-8H,1H3
InChIKey
PQHQXJDNGVLETN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
C(=O)(c1ccc(c2cc(c(cc2)Cl)Cl)cc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8320374
LogD (pH = 7.4)
4.8320374
Log P
4.8320374
Molar Refractivity
72.8291
Polarizability
29.447187
Polar Surface Area
26.3
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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