Molecule

ID:56676

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O₂
Molecular Mass
233.0912
Exact Mass
232.00578492
Charge
0
InChI
InChI=1S/C10H10Cl2O2/c1-6-3-4-8(11)9(5-6)14-7(2)10(12)13/h3-5,7H,1-2H3
InChIKey
SNGGCRDGXFFCJJ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Cl)Oc1cc(C)ccc1Cl
Isomeric Smiles
c1(OC(C(=O)Cl)C)c(ccc(c1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5131178
LogD (pH = 7.4)
3.5131178
Log P
3.5131178
Molar Refractivity
56.8042
Polarizability
22.172909
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
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Molecule Details
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References
Bioactivity
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