Molecule
ID:69594
General Information
Molecular Formula
C₁₀H₁₁ClO₂
Molecular Mass
198.64614
Exact Mass
198.04475727
Charge
0
InChI
InChI=1S/C10H11ClO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChIKey
UTWBWFXECVFDPZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)Cl
Isomeric Smiles
C(=O)(Cc1ccc(cc1)Cl)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7177408
LogD (pH = 7.4)
2.7177408
Log P
2.7177408
Molar Refractivity
51.6881
Polarizability
20.330652
Polar Surface Area
26.3
Rotatable Bonds
4
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
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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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