(E)-3-(4-chloro-3-nitrophenyl)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]prop-2-en-1-one

Formula:C19H16N3O3ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chloro-3-nitrophenyl)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]prop-2-en-1-one
MolecularFormula	C19H16N3O3ClS
Smiles	[O-][N+](c(cc(/C=C/C(c(cc1)ccc1NC1=NCCCS1)=O)cc1)c1Cl)=O
InChI	InChI=1S/C19H16ClN3O3S/c20-16-8-2-13(12-17(16)23(25)26)3-9-18(24)14-4-6-15(7-5-14)22-19-21-10-1-11-27-19/h2-9,12H,1,10-11H2,(H,21,22)
InChIK	YOMZFJHNCYVJSB-UHFFFAOYSA-N
TotalMolweight	401.873
Molweight	401.873
MonoisotopicMass	401.060089
CLogP	3.1226
CLogS	-6.59
H Acceptors	6
H Donors	1
TotalSurfaceArea	296.06
Relative PSA	0.28346
PolarSurfaceArea	112.58
Druglikeness	-2.7082
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]prop-2-en-1-one | 2 - (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]prop-2-en-1-one

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