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MolName : 2-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]isoindole-1,3-dione

MolecularFormula : C26H18N4O4

Smiles : O=C(c(cccc1)c1C1=O)N1/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2

InChI : InChI=1S/C26H18N4O4/c31-25-20-8-4-5-9-21(20)26(32)30(25)27-15-18-16-29(19-6-2-1-3-7-19)28-24(18)17-10-11-22-23(14-17)34-13-12-33-22/h1-11,14-16H,12-13H2

InChIK : ZPOFDSQLQGGYSI-UHFFFAOYSA-N

TotalMolweight : 450.453

Molweight : 450.453

MonoisotopicMass : 450.132806

CLogP : 3.5495

CLogS : -5.277

H Acceptors : 8

TotalSurfaceArea : 331.58

Relative PSA : 0.23819

PolarSurfaceArea : 86.02

Druglikeness : -2.8979

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.44118

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 4

Aromatic Atoms : 23

Sp3Atoms : 4

Symmetricatoms : 7

Aromatic Nitrogens : 2

StereoCon :