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C15H22N2OS (Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol | Chemryt

(Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol

Molecular Formula : C15H22N2OS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol

MolecularFormula : C15H22N2OS

Smiles : O/C(/C1(CC(C2)C3)CC3CC2C1)=C\SC1=NCCN1

InChI : InChI=1S/C15H22N2OS/c18-13(9-19-14-16-1-2-17-14)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12,18H,1-8H2,(H,16,17)

InChIK : DBFPTGBWDUXKDQ-UHFFFAOYSA-N

TotalMolweight : 278.419

Molweight : 278.419

MonoisotopicMass : 278.145283

CLogP : 2.3981

CLogS : -3.995

H Acceptors : 3

H Donors : 2

TotalSurfaceArea : 200.47

Relative PSA : 0.26717

PolarSurfaceArea : 69.92

Druglikeness : 3.2828

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.52632

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 5

Sp3Atoms : 14

Symmetricatoms : 6

BasicNitrogens : 1

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