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C11H9N5 | Cheminformatics
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2-[(2E)-2-(3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-ylidene)ethylidene]propanedinitrile

Molecular Formula : C11H9N5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
2-[(2E)-2-(3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-ylidene)ethylidene]propanedinitrile is a drug-like molecule.

MolName : 2-[(2E)-2-(3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-ylidene)ethylidene]propanedinitrile

MolecularFormula : C11H9N5

Smiles : N#CC(C#N)=C/C=C(\C=CN1)/N2C1=NCC2

InChI : InChI=1S/C11H9N5/c12-7-9(8-13)1-2-10-3-4-14-11-15-5-6-16(10)11/h1-4H,5-6H2,(H,14,15)

InChIK : BZTIUZBUHZZUKJ-UHFFFAOYSA-N

TotalMolweight : 211.227

Molweight : 211.227

MonoisotopicMass : 211.085795

CLogP : 0.3804

CLogS : -2.592

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 178.09

Relative PSA : 0.3012

PolarSurfaceArea : 75.21

Druglikeness : -3.8409

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB; 1,1-dinitrile

Shape Index : 0.5625

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Sp3Atoms : 2

Symmetricatoms : 2

BasicNitrogens : 1

StereoCon :

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1 - 2-[(2E)-2-(3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-ylidene)ethylidene]propanedinitrile
2 - 2-[(2E)-2-(3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-ylidene)ethylidene]propanedinitrile
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