(E)-3-anthracen-9-yl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C26H15N2FS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-anthracen-9-yl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-anthracen-9-yl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C26H15N2FS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C26H15FN2S/c27-21-11-9-17(10-12-21)25-16-30-26(29-25)20(15-28)14-24-22-7-3-1-5-18(22)13-19-6-2-4-8-23(19)24/h1-14,16H
InChIK	UTQRQGGZLKJOPY-UHFFFAOYSA-N
TotalMolweight	406.483
Molweight	406.483
MonoisotopicMass	406.093996
CLogP	6.4025
CLogS	-7.963
H Acceptors	2
TotalSurfaceArea	309.45
Relative PSA	0.14506
PolarSurfaceArea	64.92
Druglikeness	-2.9905
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	8
Aromatic Nitrogens	1
StereoCon

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