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C11H11N3O4 N-[(Z)-2,3-dihydro-1,4-dioxin-5-ylmethylideneamino]-4-nitroaniline | Chemryt

N-[(Z)-2,3-dihydro-1,4-dioxin-5-ylmethylideneamino]-4-nitroaniline

Molecular Formula : C11H11N3O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : N-[(Z)-2,3-dihydro-1,4-dioxin-5-ylmethylideneamino]-4-nitroaniline

MolecularFormula : C11H11N3O4

Smiles : [O-][N+](c(cc1)ccc1N/N=C\C1=COCCO1)=O

InChI : InChI=1S/C11H11N3O4/c15-14(16)10-3-1-9(2-4-10)13-12-7-11-8-17-5-6-18-11/h1-4,7-8,13H,5-6H2

InChIK : WLCPQZLAKIBIRT-UHFFFAOYSA-N

TotalMolweight : 249.225

Molweight : 249.225

MonoisotopicMass : 249.074957

CLogP : 1.3209

CLogS : -2.681

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 191.88

Relative PSA : 0.38248

PolarSurfaceArea : 88.67

Druglikeness : -10.477

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : low

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.72222

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 5

Symmetricatoms : 2

AcidicOxygens : 1

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