Molecule

ID:47135

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClFNO
Molecular Mass
245.7208832
Exact Mass
245.09827007
Charge
0
InChI
InChI=1S/C12H16FNO.ClH/c13-11-5-3-10(4-6-11)9-15-12-2-1-7-14-8-12;/h3-6,12,14H,1-2,7-9H2;1H
InChIKey
SYUAJBBFHSPWHD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)COC1CCCNC1.Cl
Isomeric Smiles
N1CC(OCc2ccc(F)cc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0974799
LogD (pH = 7.4)
-0.10868718
Log P
2.0928855
Molar Refractivity
57.7771
Polarizability
22.513802
Polar Surface Area
21.26
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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