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C22H22N4O4 | Cheminformatics
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4-hydroxy-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide

Molecular Formula : C22H22N4O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-hydroxy-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is a drug-like molecule.

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

MolecularFormula : C22H22N4O4

Smiles : Oc(cc1)ccc1C(N/N=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2)=O

InChI : InChI=1S/C22H22N4O4/c27-18-7-5-16(6-8-18)22(29)24-23-13-17-14-26(20-4-2-1-3-19(17)20)15-21(28)25-9-11-30-12-10-25/h1-8,13-14,27H,9-12,15H2,(H,24,29)

InChIK : LBSUKWMOVVTIAN-UHFFFAOYSA-N

TotalMolweight : 406.441

Molweight : 406.441

MonoisotopicMass : 406.164106

CLogP : 2.197

CLogS : -2.79

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 310.49

Relative PSA : 0.26593

PolarSurfaceArea : 96.16

Druglikeness : 6.2403

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.6

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

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