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C23H20N3O2Cl | Cheminformatics
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(Z)-2-(4-chlorophenyl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile

Molecular Formula : C23H20N3O2Cl | Mutagenic : none | Tumorigenic : low | Reproductive Effective : low |
(Z)-2-(4-chlorophenyl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName : (Z)-2-(4-chlorophenyl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile

MolecularFormula : C23H20N3O2Cl

Smiles : N#C/C(/c(cc1)ccc1Cl)=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2

InChI : InChI=1S/C23H20ClN3O2/c24-20-7-5-17(6-8-20)18(14-25)13-19-15-27(22-4-2-1-3-21(19)22)16-23(28)26-9-11-29-12-10-26/h1-8,13,15H,9-12,16H2

InChIK : KEHDTQGHNMLZOZ-UHFFFAOYSA-N

TotalMolweight : 405.884

Molweight : 405.884

MonoisotopicMass : 405.124404

CLogP : 3.2797

CLogS : -3.73

H Acceptors : 5

TotalSurfaceArea : 312.01

Relative PSA : 0.1507

PolarSurfaceArea : 58.26

Druglikeness : -0.94689

Mutagenic : none

Tumorigenic : low

Reproductive Effective : low

Irritant : none

Nasty Functions :

Shape Index : 0.55172

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

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