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MolName : (2Z)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

MolecularFormula : C23H20N3O3FS

Smiles : N#C/C(/C(N1CCOCC1)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)ccc2F)C1=O

InChI : InChI=1S/C23H20FN3O3S/c24-17-8-6-16(7-9-17)14-20-22(29)27(18-4-2-1-3-5-18)23(31-20)19(15-25)21(28)26-10-12-30-13-11-26/h1-9,20H,10-14H2/t20-/m0/s1

InChIK : MFMIZLNNCNMVPN-FQEVSTJZSA-N

TotalMolweight : 437.494

Molweight : 437.494

MonoisotopicMass : 437.12094

CLogP : 3.3427

CLogS : -4.326

H Acceptors : 6

TotalSurfaceArea : 321.89

Relative PSA : 0.23061

PolarSurfaceArea : 98.94

Druglikeness : -0.16184

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions : polar activated DB; twice activated DB

Shape Index : 0.48387

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 6

Amides : 2

StereoCon : racemate