In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 28th, 2007 | 18 | No |
Popular Name: 4-methoxy-3-{[(3-methyl-1H-1,2,4-triazol-5-yl)thio]methyl}benzaldehyde 4-methoxy-3-{[(3-methyl-1H-1,2,4…
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CAS Numbers: , 907972-78-5
4-Methoxy-3-{[(3-methyl-1H-1,2,4-triazol-5-yl)-thio]methyl}benzaldehyde
4-methoxy-3-{[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}benzaldehyde
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.77 | -1.19 | -12.31 | 1 | 5 | 0 | 67 | 263.322 | 5 | ↓ |
Note Type | Comments | Provided By |
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Warnings | IRRITANT | Matrix Scientific |