(E)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide

Formula:C18H13N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C18H13N4O4ClS
Smiles	[O-][N+](c1ccc(/C=C/C(Nc2nnc(COc(cc3)ccc3Cl)s2)=O)cc1)=O
InChI	InChI=1S/C18H13ClN4O4S/c19-13-4-8-15(9-5-13)27-11-17-21-22-18(28-17)20-16(24)10-3-12-1-6-14(7-2-12)23(25)26/h1-10H,11H2,(H,20,22,24)
InChIK	ZAOLXVYMYCXZHB-UHFFFAOYSA-N
TotalMolweight	416.844
Molweight	416.844
MonoisotopicMass	416.034603
CLogP	3.0118
CLogS	-5.242
H Acceptors	8
H Donors	1
TotalSurfaceArea	304.8
Relative PSA	0.35177
PolarSurfaceArea	138.17
Druglikeness	-2.7012
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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