(NE)-N-[(4E,8E)-12-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclododeca-4,8-dien-1-ylidene]hydroxylamine
Formula:C15H22N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(4E,8E)-12-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclododeca-4,8-dien-1-ylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NE)-N-[(4E,8E)-12-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclododeca-4,8-dien-1-ylidene]hydroxylamine |
| MolecularFormula | C15H22N2OS2 |
| Smiles | O/N=C(\CC/C=C/CC/C=C/CC1)/C1SC1=NCCS1 |
| InChI | InChI=1S/C15H22N2OS2/c18-17-13-9-7-5-3-1-2-4-6-8-10-14(13)20-15-16-11-12-19-15/h3-6,14,18H,1-2,7-12H2/b5-3?,6-4?,17-13+/t14-/m0/s1 |
| InChIK | NOMMIJASTOZFRS-BYSCEPROSA-N |
| TotalMolweight | 310.485 |
| Molweight | 310.485 |
| MonoisotopicMass | 310.117353 |
| CLogP | 5.4998 |
| CLogS | -4.521 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.35 |
| Relative PSA | 0.28514 |
| PolarSurfaceArea | 95.55 |
| Druglikeness | -2.57 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Sp3Atoms | 12 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (NE)-N-[(4E,8E)-12-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclododeca-4,8-dien-1-ylidene]hydroxylamine | 2 - (NE)-N-[(4E,8E)-12-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)cyclododeca-4,8-dien-1-ylidene]hydroxylamine
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