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

MolecularFormula : C18H16N3O3F3

Smiles : O=C(CNc1cccc(C(F)(F)F)c1)N/N=C\c(cc1)cc2c1OCCO2

InChI : InChI=1S/C18H16F3N3O3/c19-18(20,21)13-2-1-3-14(9-13)22-11-17(25)24-23-10-12-4-5-15-16(8-12)27-7-6-26-15/h1-5,8-10,22H,6-7,11H2,(H,24,25)

InChIK : OCMFDEWEUREQPD-UHFFFAOYSA-N

TotalMolweight : 379.337

Molweight : 379.337

MonoisotopicMass : 379.114376

CLogP : 3.3206

CLogS : -4.503

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 275.69

Relative PSA : 0.24473

PolarSurfaceArea : 71.95

Druglikeness : -9.404

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 2

Amines : 1

Aromatic Amines : 1

StereoCon :