Molecule

ID:95842

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClFNO
Molecular Mass
285.7847432
Exact Mass
285.1295702
Charge
0
InChI
InChI=1S/C15H21FNO.ClH/c1-4-17(5-2,6-3)12-11-15(18)13-7-9-14(16)10-8-13;/h7-12H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKey
HIWCDZHYAZDOQB-UHFFFAOYSA-M
Canonic Smiles
CC[N+](/C=C/C(=O)c1ccc(cc1)F)(CC)CC.[Cl-]
Isomeric Smiles
[N+](/C=C/C(=O)c1ccc(cc1)F)(CC)(CC)CC.[Cl-]
Calculated Properties
JChem
Acid pKa
15.073437
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.0739895
LogD (pH = 7.4)
-1.0739895
Log P
-1.0739895
Molar Refractivity
85.1888
Polarizability
27.822117
Polar Surface Area
17.07
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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