(3Z)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethylidene]-5-bromo-1H-indol-2-one

Formula:C17H10NO4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (3Z)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethylidene]-5-bromo-1H-indol-2-one is a drug-like molecule.

MolName	(3Z)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethylidene]-5-bromo-1H-indol-2-one
MolecularFormula	C17H10NO4Br
Smiles	O=C(/C=C(/c(cc(cc1)Br)c1N1)\C1=O)c(cc1)cc2c1OCO2
InChI	InChI=1S/C17H10BrNO4/c18-10-2-3-13-11(6-10)12(17(21)19-13)7-14(20)9-1-4-15-16(5-9)23-8-22-15/h1-7H,8H2,(H,19,21)
InChIK	CJHSOCYXEPXZJP-UHFFFAOYSA-N
TotalMolweight	372.173
Molweight	372.173
MonoisotopicMass	370.97932
CLogP	2.5395
CLogS	-5.002
H Acceptors	5
H Donors	1
TotalSurfaceArea	230.08
Relative PSA	0.25009
PolarSurfaceArea	64.63
Druglikeness	1.4022
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
StereoCon

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