Molecule

ID:96351

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClFN₃S
Molecular Mass
377.9065432
Exact Mass
377.11287459
Charge
0
InChI
InChI=1S/C19H21ClFN3S/c1-13-5-10-17(14(2)12-13)22-19(25)24-23-18(4-3-11-20)15-6-8-16(21)9-7-15/h5-10,12H,3-4,11H2,1-2H3,(H2,22,24,25)
InChIKey
CZJCTQHBOKDSJA-UHFFFAOYSA-N
Canonic Smiles
ClCCC/C(=N\NC(=S)Nc1ccc(cc1C)C)/c1ccc(cc1)F
Isomeric Smiles
N(=C(\c1ccc(cc1)F)/CCCCl)/NC(=S)Nc1ccc(cc1C)C
Calculated Properties
JChem
Acid pKa
9.443243
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
5.9841194
LogD (pH = 7.4)
5.9805207
Log P
5.9842367
Molar Refractivity
109.0129
Polarizability
40.546425
Polar Surface Area
36.42
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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