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C23H20N3O2F | Cheminformatics
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(E)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile

Molecular Formula : C23H20N3O2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile is a drug-like molecule.

MolName : (E)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile

MolecularFormula : C23H20N3O2F

Smiles : N#C/C(/C(N1CCOCC1)=O)=C\c1cn(Cc(cc2)ccc2F)c2c1cccc2

InChI : InChI=1S/C23H20FN3O2/c24-20-7-5-17(6-8-20)15-27-16-19(21-3-1-2-4-22(21)27)13-18(14-25)23(28)26-9-11-29-12-10-26/h1-8,13,16H,9-12,15H2

InChIK : PZNYJCLEBFEYDC-UHFFFAOYSA-N

TotalMolweight : 389.429

Molweight : 389.429

MonoisotopicMass : 389.153955

CLogP : 3.1456

CLogS : -3.26

H Acceptors : 5

TotalSurfaceArea : 302.94

Relative PSA : 0.15521

PolarSurfaceArea : 58.26

Druglikeness : -1.877

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

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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2 - (E)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
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