(Z)-3-(2,4-dichlorophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C18H9N3O2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (Z)-3-(2,4-dichlorophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(2,4-dichlorophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H9N3O2Cl2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C/c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H9Cl2N3O2S/c19-14-4-1-12(16(20)8-14)7-13(9-21)18-22-17(10-26-18)11-2-5-15(6-3-11)23(24)25/h1-8,10H
InChIK	GQMHXVMJZUTGKI-UHFFFAOYSA-N
TotalMolweight	402.26
Molweight	402.26
MonoisotopicMass	400.979251
CLogP	4.2033
CLogS	-6.369
H Acceptors	5
TotalSurfaceArea	288.41
Relative PSA	0.26112
PolarSurfaceArea	110.74
Druglikeness	-6.7352
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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