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

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

MolName	(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile
MolecularFormula	C18H9N3O2Cl2S
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\c(cccc1)c1[N+]([O-])=O
InChI	InChI=1S/C18H9Cl2N3O2S/c19-14-6-5-11(8-15(14)20)16-10-26-18(22-16)13(9-21)7-12-3-1-2-4-17(12)23(24)25/h1-8,10H
InChIK	WSDWHCDYFRDSRT-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	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
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
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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