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

Formula:C18H11N4O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chloroanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-chloroanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H11N4O2ClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C\Nc(cc1)ccc1Cl
InChI	InChI=1S/C18H11ClN4O2S/c19-14-3-5-15(6-4-14)21-10-13(9-20)18-22-17(11-26-18)12-1-7-16(8-2-12)23(24)25/h1-8,10-11,21H
InChIK	ZOMXSNIIUUURHF-UHFFFAOYSA-N
TotalMolweight	382.83
Molweight	382.83
MonoisotopicMass	382.029123
CLogP	2.768
CLogS	-5.579
H Acceptors	6
H Donors	1
TotalSurfaceArea	284.45
Relative PSA	0.30504
PolarSurfaceArea	122.77
Druglikeness	-6.7795
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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