Molecule

ID:96950

General Information
Structure
MolImage
Molecular Formula
C₄H₉ClF₃N
Molecular Mass
163.5691696
Exact Mass
163.03756163
Charge
0
InChI
InChI=1S/C4H8F3N.ClH/c5-4(6,7)2-1-3-8;/h1-3,8H2;1H
InChIKey
QOTKGSVSGMIHGN-UHFFFAOYSA-N
Canonic Smiles
NCCCC(F)(F)F.Cl
Isomeric Smiles
FC(F)(F)CCCN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1351807
LogD (pH = 7.4)
-1.7094499
Log P
0.8886017
Molar Refractivity
24.5757
Polarizability
9.130488
Polar Surface Area
26.02
Rotatable Bonds
3
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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