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

MolecularFormula : C23H23N5O5S

Smiles : [O-][N+](c(cc1)ccc1SCC(N/N=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2)=O)=O

InChI : InChI=1S/C23H23N5O5S/c29-22(16-34-19-7-5-18(6-8-19)28(31)32)25-24-13-17-14-27(21-4-2-1-3-20(17)21)15-23(30)26-9-11-33-12-10-26/h1-8,13-14H,9-12,15-16H2,(H,25,29)

InChIK : GOMLRONMXYCWRW-UHFFFAOYSA-N

TotalMolweight : 481.532

Molweight : 481.532

MonoisotopicMass : 481.14199

CLogP : 1.8339

CLogS : -4.088

H Acceptors : 10

H Donors : 1

TotalSurfaceArea : 359.06

Relative PSA : 0.32691

PolarSurfaceArea : 147.05

Druglikeness : 1.5685

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.61765

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 9

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :