(E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one

Formula:C24H18N3O3ClF4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one
MolecularFormula	C24H18N3O3ClF4S
Smiles	[O-][N+](c(cc(cc1)-c2csc(C(CC3)CCN3C(/C=C/c(cccc3C(F)(F)F)c3F)=O)n2)c1Cl)=O
InChI	InChI=1S/C24H18ClF4N3O3S/c25-18-6-4-16(12-20(18)32(34)35)19-13-36-23(30-19)15-8-10-31(11-9-15)21(33)7-5-14-2-1-3-17(22(14)26)24(27,28)29/h1-7,12-13,15H,8-11H2
InChIK	SHWZLTZSGBCFKI-UHFFFAOYSA-N
TotalMolweight	539.936
Molweight	539.936
MonoisotopicMass	539.069351
CLogP	5.7853
CLogS	-6.914
H Acceptors	6
TotalSurfaceArea	370.97
Relative PSA	0.21118
PolarSurfaceArea	107.26
Druglikeness	-7.6029
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one | 2 - (E)-1-[4-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-one

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