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C7H11N3O | Cheminformatics
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(E)-3-amino-3-morpholin-4-ylprop-2-enenitrile

Molecular Formula : C7H11N3O | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-amino-3-morpholin-4-ylprop-2-enenitrile is a drug-like molecule.

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

MolecularFormula : C7H11N3O

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

InChI : InChI=1S/C7H11N3O/c8-2-1-7(9)10-3-5-11-6-4-10/h1H,3-6,9H2

InChIK : NIJBZJPXHOOJAX-UHFFFAOYSA-N

TotalMolweight : 153.184

Molweight : 153.184

MonoisotopicMass : 153.090212

CLogP : -0.7012

CLogS : -1.883

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 130.28

Relative PSA : 0.3253

PolarSurfaceArea : 62.28

Druglikeness : -2.7279

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polar activated DB

Shape Index : 0.72727

Fragments : 1

Non HAtoms : 11

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 1

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 5

Symmetricatoms : 2

BasicNitrogens : 2

StereoCon :

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