In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 21 | No |
Popular Name: 1-[(4-Methylphenyl)sulfonyl]-1H-indole-2-carbaldehyde 1-[(4-Methylphenyl)sulfonyl]-1H-…
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CAS Number: 146384-54-5
1-(Toluene-4-sulfonyl)-1H-indole-2-carbaldehyde
1H-indole-2-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
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) | 3.61 | 7.29 | -9.96 | 0 | 4 | 0 | 56 | 299.351 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 136-137° | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.