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C16H14N2O4 | Cheminformatics

N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-hydroxybenzamide

Molecular Formula : C16H14N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-hydroxybenzamide is a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-hydroxybenzamide

MolecularFormula : C16H14N2O4

Smiles : Oc(cc1)ccc1C(N/N=C\c(cc1)cc2c1OCCO2)=O

InChI : InChI=1S/C16H14N2O4/c19-13-4-2-12(3-5-13)16(20)18-17-10-11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10,19H,7-8H2,(H,18,20)

InChIK : TZARBGQMUQMXEK-UHFFFAOYSA-N

TotalMolweight : 298.297

Molweight : 298.297

MonoisotopicMass : 298.095358

CLogP : 2.8347

CLogS : -3.607

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 227.36

Relative PSA : 0.30397

PolarSurfaceArea : 80.15

Druglikeness : -2.8756

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.68182

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 2

StereoCon :

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