Molecule

ID:63330

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClF₂N
Molecular Mass
157.5894064
Exact Mass
157.04698345
Charge
0
InChI
InChI=1S/C5H9F2N.ClH/c6-5(7)1-4(2-5)3-8;/h4H,1-3,8H2;1H
InChIKey
GWULAFBJCARIIV-UHFFFAOYSA-N
Canonic Smiles
NCC1CC(C1)(F)F.Cl
Isomeric Smiles
C1(CC(F)(F)C1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.9374795
LogD (pH = 7.4)
-2.5187104
Log P
0.08654327
Molar Refractivity
27.0576
Polarizability
10.284842
Polar Surface Area
26.02
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
No Data Available
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Molecule Details
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References
Bioactivity
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