Molecule

ID:56702

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂O₂
Molecular Mass
247.11778
Exact Mass
246.02143498
Charge
0
InChI
InChI=1S/C11H12Cl2O2/c1-6-4-9(5-7(2)10(6)12)15-8(3)11(13)14/h4-5,8H,1-3H3
InChIKey
GZCMIOVDMJERDM-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1cc(C)c(c(c1)C)Cl)C
Isomeric Smiles
c1(c(cc(OC(C(=O)Cl)C)cc1C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0265393
LogD (pH = 7.4)
4.0265393
Log P
4.0265393
Molar Refractivity
61.8454
Polarizability
23.904194
Polar Surface Area
26.3
Rotatable Bonds
3
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
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References
Bioactivity
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