Molecule

ID:96848

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClF₃N
Molecular Mass
187.5905696
Exact Mass
187.03756163
Charge
0
InChI
InChI=1S/C6H8F3N.ClH/c7-6(8,9)5-1-3-10-4-2-5;/h1,10H,2-4H2;1H
InChIKey
SRQLYPNIGWLBSA-UHFFFAOYSA-N
Canonic Smiles
FC(C1=CCNCC1)(F)F.Cl
Isomeric Smiles
N1CCC(=CC1)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1517467
LogD (pH = 7.4)
-1.3464212
Log P
1.0592618
Molar Refractivity
33.0125
Polarizability
11.740591
Polar Surface Area
12.03
Rotatable Bonds
1
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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