Molecule

ID:71583

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉FN₂OS
Molecular Mass
282.3768632
Exact Mass
282.12021246
Charge
0
InChI
InChI=1S/C14H19FN2OS/c1-10(2)18-13-9-11(15)5-6-12(13)16-14(19)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKey
DWJKOLKAPWWYIU-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cc(F)ccc1NC(=S)N1CCCC1)C
Isomeric Smiles
C(=S)(Nc1c(cc(cc1)F)OC(C)C)N1CCCC1
Calculated Properties
JChem
Acid pKa
10.878706
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3788416
LogD (pH = 7.4)
3.3787065
Log P
3.3788435
Molar Refractivity
80.77
Polarizability
30.36357
Polar Surface Area
24.5
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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