Molecule

ID:64705

General Information
Structure
Molecular Formula
C₇H₁₄ClF₂N
Molecular Mass
185.6425664
Exact Mass
185.07828357
Charge
0
InChI
InChI=1S/C7H13F2N.ClH/c8-7(9)3-1-6(5-10)2-4-7;/h6H,1-5,10H2;1H
InChIKey
HNJQCPHETXMWSG-UHFFFAOYSA-N
Canonic Smiles
NCC1CCC(CC1)(F)F.Cl
Isomeric Smiles
C1CC(CCC1CN)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0486047
LogD (pH = 7.4)
-1.6375676
Log P
0.9756806
Molar Refractivity
36.2596
Polarizability
13.897767
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
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Molecule Details
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References
Bioactivity
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