Molecule

ID:99901

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClFO₂
Molecular Mass
230.6631832
Exact Mass
230.05098552
Charge
0
InChI
InChI=1S/C11H12ClFO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,1-3H3
InChIKey
XSXTUTSLQCTYJB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)C(=O)OC(C)(C)C
Isomeric Smiles
O(C(=O)c1ccc(cc1Cl)F)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.777429
LogD (pH = 7.4)
3.777429
Log P
3.777429
Molar Refractivity
56.9101
Polarizability
21.89689
Polar Surface Area
26.3
Rotatable Bonds
3
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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