3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-4,6-dichloro-3-hydroxy-1H-indol-2-one

Formula:C19H13NO5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-4,6-dichloro-3-hydroxy-1H-indol-2-one is a drug-like molecule.

MolName	3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-4,6-dichloro-3-hydroxy-1H-indol-2-one
MolecularFormula	C19H13NO5Cl2
Smiles	OC(CC(/C=C/c(cc1)cc2c1OCO2)=O)(c(c(N1)cc(Cl)c2)c2Cl)C1=O
InChI	InChI=1S/C19H13Cl2NO5/c20-11-6-13(21)17-14(7-11)22-18(24)19(17,25)8-12(23)3-1-10-2-4-15-16(5-10)27-9-26-15/h1-7,25H,8-9H2,(H,22,24)/t19-/m0/s1
InChIK	AZPAAXYULBUSAM-IBGZPJMESA-N
TotalMolweight	406.22
Molweight	406.22
MonoisotopicMass	405.017078
CLogP	3.3877
CLogS	-5.788
H Acceptors	6
H Donors	2
TotalSurfaceArea	274.6
Relative PSA	0.25725
PolarSurfaceArea	84.86
Druglikeness	4.1153
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
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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1 - 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-4,6-dichloro-3-hydroxy-1H-indol-2-one | 2 - 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-4,6-dichloro-3-hydroxy-1H-indol-2-one

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