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C18H16N2O4 | Cheminformatics

N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide

Molecular Formula : C18H16N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide

MolecularFormula : C18H16N2O4

Smiles : O=C(C1=COCCO1)N/N=C\c1cc(Oc2ccccc2)ccc1

InChI : InChI=1S/C18H16N2O4/c21-18(17-13-22-9-10-23-17)20-19-12-14-5-4-8-16(11-14)24-15-6-2-1-3-7-15/h1-8,11-13H,9-10H2,(H,20,21)

InChIK : GEJABGQPYRDWIN-UHFFFAOYSA-N

TotalMolweight : 324.335

Molweight : 324.335

MonoisotopicMass : 324.111008

CLogP : 2.3097

CLogS : -5.168

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 255.72

Relative PSA : 0.25813

PolarSurfaceArea : 69.15

Druglikeness : -2.7823

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : low

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

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 2

StereoCon :

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