Molecule

ID:65099

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClF₂N
Molecular Mass
169.6001064
Exact Mass
169.04698345
Charge
0
InChI
InChI=1S/C6H9F2N.ClH/c7-6(8)3-5(6)1-2-9-4-5;/h9H,1-4H2;1H
InChIKey
MMTHPQJBBHOCRW-UHFFFAOYSA-N
Canonic Smiles
FC1(F)CC21CNCC2.Cl
Isomeric Smiles
C1(C2(C1)CCNC2)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.8682287
LogD (pH = 7.4)
-2.4192445
Log P
0.3636319
Molar Refractivity
29.6333
Polarizability
11.396162
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
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Molecule Details
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References
Bioactivity
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