3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-5-bromo-3-hydroxy-1H-indol-2-one

Formula:C19H14NO5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-5-bromo-3-hydroxy-1H-indol-2-one is a drug-like molecule.

MolName	3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-5-bromo-3-hydroxy-1H-indol-2-one
MolecularFormula	C19H14NO5Br
Smiles	OC(CC(/C=C/c(cc1)cc2c1OCO2)=O)(c(cc(cc1)Br)c1N1)C1=O
InChI	InChI=1S/C19H14BrNO5/c20-12-3-5-15-14(8-12)19(24,18(23)21-15)9-13(22)4-1-11-2-6-16-17(7-11)26-10-25-16/h1-8,24H,9-10H2,(H,21,23)/t19-/m0/s1
InChIK	CLMXZXGFBVUPER-IBGZPJMESA-N
TotalMolweight	416.226
Molweight	416.226
MonoisotopicMass	415.005535
CLogP	2.9009
CLogS	-5.15
H Acceptors	6
H Donors	2
TotalSurfaceArea	262.39
Relative PSA	0.26922
PolarSurfaceArea	84.86
Druglikeness	2.2596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
StereoCon	racemate

Click to Load Molecule:

1 - 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-5-bromo-3-hydroxy-1H-indol-2-one | 2 - 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-5-bromo-3-hydroxy-1H-indol-2-one

Request More Details | 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-5-bromo-3-hydroxy-1H-indol-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments