| Phytochemical Name : N-Allylbenzothiazolium Bromide |
| PCNDIDN0017 |
| Pubchem CID : 177743 |
| Molecular formula: C10H10BrNS |
| Canonical SMILES : C=CC[N+]1=CSC2=CC=CC=C21.[Br-] |
Synonymes : 16407-55-9|N-Allylbenzothiazolium Bromide|3-Allylbenzo[d]thiazol-3-ium bromide|3-prop-2-enyl-1,3-benzothiazol-3-ium;bromide|3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium bromide|3-Allylbenzothiazolium bromide|Benzothiazolium, 3-allyl-, bromide|Benzothiazolium, 3-(2-propen-1-yl)-, bromide (1:1)|N-AllylbenzothiazoliumBromide|Benzothiazolium,3-(2-propen-1-yl)-, bromide (1:1)|SCHEMBL4131546|SCHEMBL8861783|DTXSID50936901|MFCD00191299|N-ALLYLBENZOATHIAZOLIUM BROMIDE|AKOS024331547|AS-68410|A1294|CS-0447726|D88410|A882490 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -2.560 |
| Log Po/w (XLOGP3) : 4.220 |
| Log Po/w (WLOGP) : -0.620 |
| Log Po/w (MLOGP) : 2.810 |
| Log Po/w (SILICOS-IT) : 3.420 |
| Consensus Log Po/w : 1.450 |