Molecule

ID:98272

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClF₃NO₂
Molecular Mass
207.5786696
Exact Mass
207.02739087
Charge
0
InChI
InChI=1S/C5H8F3NO2.ClH/c1-11-4(10)3(9)2-5(6,7)8;/h3H,2,9H2,1H3;1H
InChIKey
LGGNXCVKSJMQRV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CC(F)(F)F)N.Cl
Isomeric Smiles
NC(CC(F)(F)F)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4585603
LogD (pH = 7.4)
-0.015310162
Log P
0.17177024
Molar Refractivity
30.4197
Polarizability
11.941014
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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