(5Z)-5-(anthracen-9-ylmethylidene)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one

Formula:C28H22N3OFS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-(anthracen-9-ylmethylidene)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one is not a drug-like molecule.

MolName	(5Z)-5-(anthracen-9-ylmethylidene)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-one
MolecularFormula	C28H22N3OFS
Smiles	O=C1N=C(N(CC2)CCN2c(cccc2)c2F)S/C1=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C28H22FN3OS/c29-24-11-5-6-12-25(24)31-13-15-32(16-14-31)28-30-27(33)26(34-28)18-23-21-9-3-1-7-19(21)17-20-8-2-4-10-22(20)23/h1-12,17-18H,13-16H2
InChIK	ZXTAOBWUAFPFKP-UHFFFAOYSA-N
TotalMolweight	467.567
Molweight	467.567
MonoisotopicMass	467.14676
CLogP	5.6792
CLogS	-7.783
H Acceptors	4
TotalSurfaceArea	340.13
Relative PSA	0.14447
PolarSurfaceArea	61.21
Druglikeness	4.9558
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	6
Symmetricatoms	8
Amines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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