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C15H16N2O2 | Cheminformatics

(E)-3-(1H-indol-3-yl)-1-morpholin-4-ylprop-2-en-1-one

Molecular Formula : C15H16N2O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(1H-indol-3-yl)-1-morpholin-4-ylprop-2-en-1-one is a drug-like molecule.

MolName : (E)-3-(1H-indol-3-yl)-1-morpholin-4-ylprop-2-en-1-one

MolecularFormula : C15H16N2O2

Smiles : O=C(/C=C/c1c[nH]c2c1cccc2)N1CCOCC1

InChI : InChI=1S/C15H16N2O2/c18-15(17-7-9-19-10-8-17)6-5-12-11-16-14-4-2-1-3-13(12)14/h1-6,11,16H,7-10H2

InChIK : PTQOVMYCCILAIZ-UHFFFAOYSA-N

TotalMolweight : 256.304

Molweight : 256.304

MonoisotopicMass : 256.121178

CLogP : 1.7025

CLogS : -2.221

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 203.52

Relative PSA : 0.19939

PolarSurfaceArea : 45.33

Druglikeness : 1.9944

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.63158

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 5

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon :

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