Molecule

ID:55803

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClFNO₂
Molecular Mass
323.7896632
Exact Mass
323.10883475
Charge
0
InChI
InChI=1S/C17H18FNO2.ClH/c18-16-3-1-2-13(9-16)11-20-12-14-4-5-17-15(8-14)10-19-6-7-21-17;/h1-5,8-9,19H,6-7,10-12H2;1H
InChIKey
JTRVBQPHXMHQLT-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COCc1ccc2c(c1)CNCCO2.Cl
Isomeric Smiles
c1(ccc2c(c1)CNCCO2)COCc1cccc(c1)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-8.429645E-4
LogD (pH = 7.4)
1.5800196
Log P
2.9453502
Molar Refractivity
80.1963
Polarizability
30.930922
Polar Surface Area
30.49
Rotatable Bonds
4
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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