(E)-3-(4-chloro-3-nitrophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide

Formula:C18H11N4O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chloro-3-nitrophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
MolecularFormula	C18H11N4O5ClS
Smiles	[O-][N+](c1cccc(-c2csc(NC(/C=C/c(cc3)cc([N+]([O-])=O)c3Cl)=O)n2)c1)=O
InChI	InChI=1S/C18H11ClN4O5S/c19-14-6-4-11(8-16(14)23(27)28)5-7-17(24)21-18-20-15(10-29-18)12-2-1-3-13(9-12)22(25)26/h1-10H,(H,20,21,24)
InChIK	JCLWMGXEMQBNHY-UHFFFAOYSA-N
TotalMolweight	430.827
Molweight	430.827
MonoisotopicMass	430.013868
CLogP	3.2746
CLogS	-6.665
H Acceptors	9
H Donors	1
TotalSurfaceArea	305.95
Relative PSA	0.38134
PolarSurfaceArea	161.87
Druglikeness	-3.6452
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! thiazol-2-ylamine
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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