[2-(benzotriazol-2-yl)-4-methylphenyl] 4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonate

Formula:C23H18N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(benzotriazol-2-yl)-4-methylphenyl] 4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonate is a drug-like molecule.

MolName	[2-(benzotriazol-2-yl)-4-methylphenyl] 4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonate
MolecularFormula	C23H18N4O5S
Smiles	Cc(cc1)cc(-n2nc(cccc3)c3n2)c1OS(c(cc1)ccc1N(C(CC1)=O)C1=O)(=O)=O
InChI	InChI=1S/C23H18N4O5S/c1-15-6-11-21(20(14-15)27-24-18-4-2-3-5-19(18)25-27)32-33(30,31)17-9-7-16(8-10-17)26-22(28)12-13-23(26)29/h2-11,14H,12-13H2,1H3
InChIK	FJSMLSQGCLFSRU-UHFFFAOYSA-N
TotalMolweight	462.485
Molweight	462.485
MonoisotopicMass	462.099791
CLogP	2.9173
CLogS	-4.341
H Acceptors	9
TotalSurfaceArea	324.76
Relative PSA	0.29874
PolarSurfaceArea	119.84
Druglikeness	-1.5841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	10
Amides	1
Aromatic Nitrogens	3
StereoCon

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