(E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide

Formula:C18H14N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
MolecularFormula	C18H14N4O3S
Smiles	[O-][N+](c1c(/C=C/C(Nc2nnc(Cc3ccccc3)s2)=O)cccc1)=O
InChI	InChI=1S/C18H14N4O3S/c23-16(11-10-14-8-4-5-9-15(14)22(24)25)19-18-21-20-17(26-18)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,21,23)
InChIK	UKEGTPYXYFNSDF-UHFFFAOYSA-N
TotalMolweight	366.4
Molweight	366.4
MonoisotopicMass	366.078661
CLogP	2.8736
CLogS	-4.876
H Acceptors	7
H Donors	1
TotalSurfaceArea	279.38
Relative PSA	0.34798
PolarSurfaceArea	128.94
Druglikeness	-2.4387
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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