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C11H18N4O2 | Cheminformatics
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(E)-3-amino-2,3-dimorpholin-4-ylprop-2-enenitrile

Molecular Formula : C11H18N4O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-amino-2,3-dimorpholin-4-ylprop-2-enenitrile is a drug-like molecule.

MolName : (E)-3-amino-2,3-dimorpholin-4-ylprop-2-enenitrile

MolecularFormula : C11H18N4O2

Smiles : N/C(/N1CCOCC1)=C(/C#N)\N1CCOCC1

InChI : InChI=1S/C11H18N4O2/c12-9-10(14-1-5-16-6-2-14)11(13)15-3-7-17-8-4-15/h1-8,13H2

InChIK : PDMROBRLHMYGMH-UHFFFAOYSA-N

TotalMolweight : 238.29

Molweight : 238.29

MonoisotopicMass : 238.142976

CLogP : -0.6787

CLogS : -1.511

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 190.33

Relative PSA : 0.29386

PolarSurfaceArea : 74.75

Druglikeness : -2.6407

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polar activated DB

Shape Index : 0.58824

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 2

Rings Closures : 2

Small Rings : 2

Sp3Atoms : 11

Symmetricatoms : 4

BasicNitrogens : 3

StereoCon :

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