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MolName : [4-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate

MolecularFormula : C24H18N2O7

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c(cc1)ccc1OC(c(cc1)cc2c1OCO2)=O

InChI : InChI=1S/C24H18N2O7/c27-23(16-3-7-19-21(11-16)30-10-9-29-19)26-25-13-15-1-5-18(6-2-15)33-24(28)17-4-8-20-22(12-17)32-14-31-20/h1-8,11-13H,9-10,14H2,(H,26,27)

InChIK : ROLBTMCDXSJZGD-UHFFFAOYSA-N

TotalMolweight : 446.414

Molweight : 446.414

MonoisotopicMass : 446.111403

CLogP : 4.7223

CLogS : -6.084

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 328.78

Relative PSA : 0.30127

PolarSurfaceArea : 104.68

Druglikeness : -3.1268

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.63636

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 8

Symmetricatoms : 2

StereoCon :