3-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one

Formula:C18H16N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one is a drug-like molecule.

MolName	3-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one
MolecularFormula	C18H16N2O5
Smiles	OC(C/C(/c(cc1)cc2c1OCCO2)=N\O)(c(cccc1)c1N1)C1=O
InChI	InChI=1S/C18H16N2O5/c21-17-18(22,12-3-1-2-4-13(12)19-17)10-14(20-23)11-5-6-15-16(9-11)25-8-7-24-15/h1-6,9,22-23H,7-8,10H2,(H,19,21)/t18-/m0/s1
InChIK	IFFKGGLFZHXPPC-SFHVURJKSA-N
TotalMolweight	340.334
Molweight	340.334
MonoisotopicMass	340.105923
CLogP	2.0437
CLogS	-4.016
H Acceptors	7
H Donors	3
TotalSurfaceArea	242.59
Relative PSA	0.33888
PolarSurfaceArea	100.38
Druglikeness	-4.1117
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Amides	1
StereoCon	racemate

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