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

Formula:C19H15NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one is a drug-like molecule.

MolName	3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one
MolecularFormula	C19H15NO5
Smiles	OC(CC(/C=C/c(cc1)cc2c1OCO2)=O)(c(cccc1)c1N1)C1=O
InChI	InChI=1S/C19H15NO5/c21-13(7-5-12-6-8-16-17(9-12)25-11-24-16)10-19(23)14-3-1-2-4-15(14)20-18(19)22/h1-9,23H,10-11H2,(H,20,22)/t19-/m0/s1
InChIK	AJJYRWYJJMMKIT-IBGZPJMESA-N
TotalMolweight	337.33
Molweight	337.33
MonoisotopicMass	337.095024
CLogP	2.1757
CLogS	-4.316
H Acceptors	6
H Donors	2
TotalSurfaceArea	243.76
Relative PSA	0.28979
PolarSurfaceArea	84.86
Druglikeness	4.0496
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
StereoCon	racemate

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