Molecule

ID:50260

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁ClFN
Molecular Mass
139.5989432
Exact Mass
139.05640526
Charge
0
InChI
InChI=1S/C5H10FN.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-4H2;1H
InChIKey
AUADADXQUIBHDA-UHFFFAOYSA-N
Canonic Smiles
FCC1CCCN1.Cl
Isomeric Smiles
N1C(CF)CCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.733955
LogD (pH = 7.4)
-1.8920304
Log P
0.47367582
Molar Refractivity
26.5048
Polarizability
10.442786
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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