Molecule
ID:98249
General Information
Molecular Formula
C₄H₇ClF₃NO₂
Molecular Mass
193.5520896
Exact Mass
193.01174081
Charge
0
InChI
InChI=1S/C4H6F3NO2.ClH/c1-10-3(9)2(8)4(5,6)7;/h2H,8H2,1H3;1H
InChIKey
HFMMPCAGCWNDCW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)N.Cl
Isomeric Smiles
O(C(=O)C(N)C(F)(F)F)C.Cl
Calculated Properties
JChem
Acid pKa
19.751135
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.16482984
LogD (pH = 7.4)
0.16546294
Log P
0.16547102
Molar Refractivity
25.9679
Polarizability
10.205174
Polar Surface Area
52.32
Rotatable Bonds
3
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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