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

Formula:C19H14N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(2-methoxyanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(2-methoxyanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C19H14N4O3S
Smiles	COc(cccc1)c1N/C=C(\c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)/C#N
InChI	InChI=1S/C19H14N4O3S/c1-26-18-8-3-2-7-16(18)21-11-14(10-20)19-22-17(12-27-19)13-5-4-6-15(9-13)23(24)25/h2-9,11-12,21H,1H3
InChIK	IHIMSTRSSBPPMQ-UHFFFAOYSA-N
TotalMolweight	378.411
Molweight	378.411
MonoisotopicMass	378.078661
CLogP	2.092
CLogS	-4.861
H Acceptors	7
H Donors	1
TotalSurfaceArea	291.29
Relative PSA	0.33221
PolarSurfaceArea	132
Druglikeness	-6.7929
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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