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C18H16N2O5 | Cheminformatics
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3-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyiminoethyl]-3-hydroxy-1H-indol-2-one

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