Molecule
ID:79881
General Information
Molecular Formula
C₁₂H₁₁Cl₃O
Molecular Mass
277.57414
Exact Mass
275.98754801
Charge
0
InChI
InChI=1S/C12H11Cl3O/c13-12(14,15)11-8-3-1-2-4-5(3)9(11)7(4)10(16-11)6(2)8/h2-10H,1H2
InChIKey
XGTQIGLEBIUXBF-UHFFFAOYSA-N
Canonic Smiles
ClC(C12OC3C4C1C1C5C2C3C5C4C1)(Cl)Cl
Isomeric Smiles
O1C2C3C4C1(C1C2C2C3C4C1C2)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9739614
LogD (pH = 7.4)
1.9739614
Log P
1.9739614
Molar Refractivity
62.348
Polarizability
24.82328
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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