4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride

Formula:C15H11N2O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride is a drug-like molecule.

MolName	4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzenesulfonyl fluoride
MolecularFormula	C15H11N2O5FS
Smiles	[O-][N+](c1ccc(/C=C/C(Nc(cc2)ccc2S(F)(=O)=O)=O)cc1)=O
InChI	InChI=1S/C15H11FN2O5S/c16-24(22,23)14-8-4-12(5-9-14)17-15(19)10-3-11-1-6-13(7-2-11)18(20)21/h1-10H,(H,17,19)
InChIK	LZWWYRHJDBEPKN-UHFFFAOYSA-N
TotalMolweight	350.325
Molweight	350.325
MonoisotopicMass	350.037271
CLogP	2.2924
CLogS	-2.373
H Acceptors	7
H Donors	1
TotalSurfaceArea	247.33
Relative PSA	0.33761
PolarSurfaceArea	117.44
Druglikeness	-13.531
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-halogenide type; aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
Amides	1
AcidicOxygens	1
StereoCon

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