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MolName : N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide

MolecularFormula : C24H19N5O3

Smiles : O=C(c1ccncc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2

InChI : InChI=1S/C24H19N5O3/c30-24(17-8-10-25-11-9-17)27-26-15-19-16-29(20-4-2-1-3-5-20)28-23(19)18-6-7-21-22(14-18)32-13-12-31-21/h1-11,14-16H,12-13H2,(H,27,30)

InChIK : YNCPHALRGSAFFN-UHFFFAOYSA-N

TotalMolweight : 425.447

Molweight : 425.447

MonoisotopicMass : 425.14879

CLogP : 3.0985

CLogS : -4.621

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 327.25

Relative PSA : 0.25919

PolarSurfaceArea : 90.63

Druglikeness : -1.3275

Mutagenic : none

Tumorigenic : high

Reproductive Effective : high

Irritant : none

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

Shape Index : 0.5

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 23

Sp3Atoms : 4

Symmetricatoms : 4

Aromatic Nitrogens : 3

StereoCon :