Molecule

ID:41290

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClF₃NO₂
Molecular Mass
257.6373496
Exact Mass
257.04304094
Charge
0
InChI
InChI=1S/C9H10F3NO2.ClH/c10-9(11,12)7-2-1-3-8(6-7)14-4-5-15-13;/h1-3,6H,4-5,13H2;1H
InChIKey
KBNYVAPHNCORSD-UHFFFAOYSA-N
Canonic Smiles
NOCCOc1cccc(c1)C(F)(F)F.Cl
Isomeric Smiles
c1(cc(OCCON)ccc1)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.139273
LogD (pH = 7.4)
2.1591036
Log P
2.1593623
Molar Refractivity
48.8569
Polarizability
18.13963
Polar Surface Area
44.48
Rotatable Bonds
5
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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