Molecule

ID:101388

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClF₃NO
Molecular Mass
279.6859296
Exact Mass
279.06377638
Charge
0
InChI
InChI=1S/C12H13ClF3NO/c13-8-9-7-10(12(14,15)16)1-2-11(9)17-3-5-18-6-4-17/h1-2,7H,3-6,8H2
InChIKey
KCGVSWOLBMMCMW-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(ccc1N1CCOCC1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(N2CCOCC2)cc1)CCl)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3278794
LogD (pH = 7.4)
3.32788
Log P
3.32788
Molar Refractivity
65.4017
Polarizability
23.677614
Polar Surface Area
12.47
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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