2-[[(E)-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enoyl]amino]benzamide

Formula:C21H16N4O4S Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-[[(E)-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enoyl]amino]benzamide is a drug-like molecule.

MolName	2-[[(E)-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enoyl]amino]benzamide
MolecularFormula	C21H16N4O4S
Smiles	NC(c(cccc1)c1NC(/C=C/c(cc(cc1)[N+]([O-])=O)c1Sc1ncccc1)=O)=O
InChI	InChI=1S/C21H16N4O4S/c22-21(27)16-5-1-2-6-17(16)24-19(26)11-8-14-13-15(25(28)29)9-10-18(14)30-20-7-3-4-12-23-20/h1-13H,(H2,22,27)(H,24,26)
InChIK	OTKMPGJEWIFMBN-UHFFFAOYSA-N
TotalMolweight	420.448
Molweight	420.448
MonoisotopicMass	420.089226
CLogP	2.2196
CLogS	-4.801
H Acceptors	8
H Donors	2
TotalSurfaceArea	314.68
Relative PSA	0.35493
PolarSurfaceArea	156.2
Druglikeness	-4.5646
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enoyl]amino]benzamide | 2 - 2-[[(E)-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enoyl]amino]benzamide

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