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MolName : N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C20H14N2O4Cl2

Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1

InChI : InChI=1S/C20H14Cl2N2O4/c21-15-4-1-12(9-16(15)22)17-6-3-14(28-17)11-23-24-20(25)13-2-5-18-19(10-13)27-8-7-26-18/h1-6,9-11H,7-8H2,(H,24,25)

InChIK : XOAVAEDGTWDDHY-UHFFFAOYSA-N

TotalMolweight : 417.247

Molweight : 417.247

MonoisotopicMass : 416.033062

CLogP : 5.3313

CLogS : -6.835

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 301.3

Relative PSA : 0.23272

PolarSurfaceArea : 73.06

Druglikeness : -0.59822

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.64286

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 4

StereoCon :