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C23H20N3O3Cl | Cheminformatics
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(3E)-6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one

Molecular Formula : C23H20N3O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(3E)-6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one is a drug-like molecule.

MolName : (3E)-6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one

MolecularFormula : C23H20N3O3Cl

Smiles : O=C(Cn1c(cccc2)c2c(/C=C(\c(ccc(Cl)c2)c2N2)/C2=O)c1)N1CCOCC1

InChI : InChI=1S/C23H20ClN3O3/c24-16-5-6-18-19(23(29)25-20(18)12-16)11-15-13-27(21-4-2-1-3-17(15)21)14-22(28)26-7-9-30-10-8-26/h1-6,11-13H,7-10,14H2,(H,25,29)

InChIK : MWXFFOKRVKUAMC-UHFFFAOYSA-N

TotalMolweight : 421.883

Molweight : 421.883

MonoisotopicMass : 421.119319

CLogP : 2.2128

CLogS : -3.47

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 306.01

Relative PSA : 0.18941

PolarSurfaceArea : 63.57

Druglikeness : 4.8134

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.53333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 2

Aromatic Nitrogens : 1

StereoCon :

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1 - (3E)-6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one
2 - (3E)-6-chloro-3-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1H-indol-2-one
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