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MolName : 3-hydroxy-4-iodo-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide

MolecularFormula : C22H21N4O4I

Smiles : Oc(cc(cc1)C(N/N=C\c2cn(CC(N3CCOCC3)=O)c3c2cccc3)=O)c1I

InChI : InChI=1S/C22H21IN4O4/c23-18-6-5-15(11-20(18)28)22(30)25-24-12-16-13-27(19-4-2-1-3-17(16)19)14-21(29)26-7-9-31-10-8-26/h1-6,11-13,28H,7-10,14H2,(H,25,30)

InChIK : ZOWMEMNFWVVHOP-UHFFFAOYSA-N

TotalMolweight : 532.333

Molweight : 532.333

MonoisotopicMass : 532.060754

CLogP : 2.6341

CLogS : -3.806

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 336.77

Relative PSA : 0.24518

PolarSurfaceArea : 96.16

Druglikeness : 6.5962

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.58065

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon :