Molecule

ID:47119

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClFNO
Molecular Mass
245.7208832
Exact Mass
245.09827007
Charge
0
InChI
InChI=1S/C12H16FNO.ClH/c13-12-4-2-1-3-10(12)9-15-11-5-7-14-8-6-11;/h1-4,11,14H,5-9H2;1H
InChIKey
IISABZVSZLCVGZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1COC1CCNCC1.Cl
Isomeric Smiles
c1(c(F)cccc1)COC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5844512
LogD (pH = 7.4)
-0.89602816
Log P
1.6354827
Molar Refractivity
57.9979
Polarizability
22.513607
Polar Surface Area
21.26
Rotatable Bonds
3
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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