N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide

Formula:C25H19N5O6S2 Mutagenic:none Tumorigenic:low Reproductive Effective:low N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]prop-1-en-2-yl]benzamide
MolecularFormula	C25H19N5O6S2
Smiles	[O-][N+](c1ccc(/C=C(/C(Nc(cc2)ccc2S(Nc2nccs2)(=O)=O)=O)\NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C25H19N5O6S2/c31-23(18-4-2-1-3-5-18)28-22(16-17-6-10-20(11-7-17)30(33)34)24(32)27-19-8-12-21(13-9-19)38(35,36)29-25-26-14-15-37-25/h1-16H,(H,26,29)(H,27,32)(H,28,31)
InChIK	RRRZGRPHJZRUET-UHFFFAOYSA-N
TotalMolweight	549.587
Molweight	549.587
MonoisotopicMass	549.077675
CLogP	3.4266
CLogS	-6.399
H Acceptors	11
H Donors	3
TotalSurfaceArea	394.08
Relative PSA	0.38264
PolarSurfaceArea	199.7
Druglikeness	-2.8503
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	38
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	7
Amides	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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