2-(2-nitrophenoxy)-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide

Formula:C19H16N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-nitrophenoxy)-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide is a drug-like molecule.

MolName	2-(2-nitrophenoxy)-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
MolecularFormula	C19H16N4O4S2
Smiles	[O-][N+](c(cccc1)c1OCC(Nc1nnc(SC/C=C/c2ccccc2)s1)=O)=O
InChI	InChI=1S/C19H16N4O4S2/c24-17(13-27-16-11-5-4-10-15(16)23(25)26)20-18-21-22-19(29-18)28-12-6-9-14-7-2-1-3-8-14/h1-11H,12-13H2,(H,20,21,24)
InChIK	AKHMYTJUCISVBX-UHFFFAOYSA-N
TotalMolweight	428.492
Molweight	428.492
MonoisotopicMass	428.061296
CLogP	3.5453
CLogS	-5.767
H Acceptors	8
H Donors	1
TotalSurfaceArea	320.63
Relative PSA	0.38895
PolarSurfaceArea	163.47
Druglikeness	-1.8804
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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