(Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol
Molecular Formula : C15H22N2OS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-1-(1-adamantyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethenol is a drug-like molecule.
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 |
Nasty Functions : |
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 |
StereoCon : |