Molecule

ID:42887

General Information
Structure
Molecular Formula
C₁₄H₁₂Cl₂O₂
Molecular Mass
283.14988
Exact Mass
282.02143498
Charge
0
InChI
InChI=1S/C14H12Cl2O2/c15-13-6-5-12(7-14(13)16)18-9-11-3-1-10(8-17)2-4-11/h1-7,17H,8-9H2
InChIKey
VZNPXLIWVIDMPX-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)COc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(cc(OCc2ccc(cc2)CO)ccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
15.000382
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9807873
LogD (pH = 7.4)
3.9807873
Log P
3.9807873
Molar Refractivity
73.5593
Polarizability
28.66234
Polar Surface Area
29.46
Rotatable Bonds
4
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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