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MolName : 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide

MolecularFormula : C28H24N2O4

Smiles : O=C(Cc(cc1)cc2c1OCCO2)N/N=C\c(cccc1)c1OCc1cccc2ccccc12

InChI : InChI=1S/C28H24N2O4/c31-28(17-20-12-13-26-27(16-20)33-15-14-32-26)30-29-18-22-7-2-4-11-25(22)34-19-23-9-5-8-21-6-1-3-10-24(21)23/h1-13,16,18H,14-15,17,19H2,(H,30,31)

InChIK : PYFGBVHGRYMVEG-UHFFFAOYSA-N

TotalMolweight : 452.509

Molweight : 452.509

MonoisotopicMass : 452.173608

CLogP : 5.721

CLogS : -6.815

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 352.89

Relative PSA : 0.18706

PolarSurfaceArea : 69.15

Druglikeness : -2.8714

Mutagenic : low

Tumorigenic : high

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.58824

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 7

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 7

StereoCon :