Molecule

ID:10431

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)1-3-8-4-2-5;/h8H,1-4H2;1H
InChIKey
OABUKBBBSMNNPM-UHFFFAOYSA-N
Canonic Smiles
FC1(F)CCNCC1.Cl
Isomeric Smiles
C1CNCCC1(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2552228
LogD (pH = 7.4)
-0.9923955
Log P
0.87684554
Molar Refractivity
26.296
Polarizability
10.284856
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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