Molecule

ID:63980

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClFN
Molecular Mass
153.6255232
Exact Mass
153.07205532
Charge
0
InChI
InChI=1S/C6H12FN.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
InChIKey
GDUQKYYPOBCIJO-UHFFFAOYSA-N
Canonic Smiles
FCC1CCNCC1.Cl
Isomeric Smiles
FCC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.7545304
LogD (pH = 7.4)
-2.2933142
Log P
0.47687364
Molar Refractivity
31.5436
Polarizability
12.27312
Polar Surface Area
12.03
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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