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C8H14N4S [(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]thiourea | Chemryt

[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]thiourea

Molecular Formula : C8H14N4S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : [(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]thiourea

MolecularFormula : C8H14N4S

Smiles : NC(N/N=C1/C(CC2)CCN2C1)=S

InChI : InChI=1S/C8H14N4S/c9-8(13)11-10-7-5-12-3-1-6(7)2-4-12/h6H,1-5H2,(H3,9,11,13)

InChIK : YPJAHWCJAJZMET-UHFFFAOYSA-N

TotalMolweight : 198.293

Molweight : 198.293

MonoisotopicMass : 198.093916

CLogP : 0.3604

CLogS : -1.649

H Acceptors : 4

H Donors : 2

TotalSurfaceArea : 153.76

Relative PSA : 0.45389

PolarSurfaceArea : 85.74

Druglikeness : 6.4313

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : thio-amide/urea

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 13

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 3

Sp3Atoms : 8

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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