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C18H19N5O3 | Cheminformatics
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2-cyano-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide

Molecular Formula : C18H19N5O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-cyano-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]acetamide is a drug-like molecule.

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

MolecularFormula : C18H19N5O3

Smiles : N#CCC(N/N=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2)=O

InChI : InChI=1S/C18H19N5O3/c19-6-5-17(24)21-20-11-14-12-23(16-4-2-1-3-15(14)16)13-18(25)22-7-9-26-10-8-22/h1-4,11-12H,5,7-10,13H2,(H,21,24)

InChIK : YTTBQSOQHWTOSE-UHFFFAOYSA-N

TotalMolweight : 353.381

Molweight : 353.381

MonoisotopicMass : 353.14879

CLogP : 0.7989

CLogS : -2.334

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 279.85

Relative PSA : 0.29669

PolarSurfaceArea : 99.72

Druglikeness : -0.98878

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

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