Molecule

ID:11567

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁ClFNO₂
Molecular Mass
325.8055432
Exact Mass
325.12448482
Charge
0
InChI
InChI=1S/C17H20FNO2.ClH/c1-20-16-8-7-13(11-17(16)21-2)9-10-19-12-14-5-3-4-6-15(14)18;/h3-8,11,19H,9-10,12H2,1-2H3;1H
InChIKey
FNQLERMCMQYFLZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNCc2ccccc2F)ccc1OC.Cl
Isomeric Smiles
c1(c(ccc(c1)CCNCc1c(F)cccc1)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.291549
LogD (pH = 7.4)
1.6871548
Log P
3.3720884
Molar Refractivity
81.8164
Polarizability
31.576912
Polar Surface Area
30.49
Rotatable Bonds
7
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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