[2-(4-bromophenyl)-2-oxoethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate

Formula:C23H19N2O7BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-bromophenyl)-2-oxoethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate is not a drug-like molecule.

MolName	[2-(4-bromophenyl)-2-oxoethyl] (E)-3-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoate
MolecularFormula	C23H19N2O7BrS2
Smiles	NS(c1cccc(NS(c2ccc(/C=C/C(OCC(c(cc3)ccc3Br)=O)=O)cc2)(=O)=O)c1)(=O)=O
InChI	InChI=1S/C23H19BrN2O7S2/c24-18-9-7-17(8-10-18)22(27)15-33-23(28)13-6-16-4-11-20(12-5-16)35(31,32)26-19-2-1-3-21(14-19)34(25,29)30/h1-14,26H,15H2,(H2,25,29,30)
InChIK	ASFJFIVSWUSVGV-UHFFFAOYSA-N
TotalMolweight	579.447
Molweight	579.447
MonoisotopicMass	577.981704
CLogP	2.65
CLogS	-5.809
H Acceptors	9
H Donors	2
TotalSurfaceArea	374.31
Relative PSA	0.32051
PolarSurfaceArea	166.46
Druglikeness	-4.6766
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.62857
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Amides	2
StereoCon

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