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

MolecularFormula : C25H20N4O4

Smiles : Oc(cc1)ccc1C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)=O

InChI : InChI=1S/C25H20N4O4/c30-21-9-6-17(7-10-21)25(31)27-26-15-19-16-29(20-4-2-1-3-5-20)28-24(19)18-8-11-22-23(14-18)33-13-12-32-22/h1-11,14-16,30H,12-13H2,(H,27,31)

InChIK : DGLWZZJRNOWKAG-UHFFFAOYSA-N

TotalMolweight : 440.458

Molweight : 440.458

MonoisotopicMass : 440.148456

CLogP : 3.7537

CLogS : -5.12

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 334.84

Relative PSA : 0.25968

PolarSurfaceArea : 97.97

Druglikeness : -1.3383

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.51515

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 23

Sp3Atoms : 5

Symmetricatoms : 4

Aromatic Nitrogens : 2

StereoCon :