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

Formula:C19H14NO5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(Z)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-5-chloro-3-hydroxy-1H-indol-2-one is a drug-like molecule.

MolName	3-[(Z)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-5-chloro-3-hydroxy-1H-indol-2-one
MolecularFormula	C19H14NO5Cl
Smiles	OC(CC(/C=C\c(cc1)cc2c1OCO2)=O)(c(cc(cc1)Cl)c1N1)C1=O
InChI	InChI=1S/C19H14ClNO5/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	IKDGZBPSXNMNSR-IBGZPJMESA-N
TotalMolweight	371.775
Molweight	371.775
MonoisotopicMass	371.056051
CLogP	2.7817
CLogS	-5.052
H Acceptors	6
H Donors	2
TotalSurfaceArea	259.18
Relative PSA	0.27255
PolarSurfaceArea	84.86
Druglikeness	4.1153
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

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