| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2008 | 16 | No |
Popular Name: 2,4,6-trinitrotoluene 2,4,6-trinitrotoluene
Find On: PubMed — Wikipedia — Google
CAS Number: 118-96-7
118-96-7; 2,4,6-Trinitrotoluene; C16391; Trinitrotoluene
| 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) | 2.12 | 6.84 | -4.44 | 0 | 9 | 0 | 137 | 227.132 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.78e-02 g/l | DrugBank-experimental |
| Patent Database Links | EP1894577; US2008050795 | ChEBI |
| UniProt Database Links | GSTU1_ARATH; GSTUO_ARATH; NAMA_BACSU; OPR1_ARATH; OPR2_ARATH; OPR3_ARATH; POLX_TOBAC; TNNI3_BOVIN; TNNI3_CANFA; TNNI3_FELCA; TNNI3_HORSE; TNNI3_HUMAN; TNNI3_MOUSE; TNNI3_RABIT; TNNI3_RAT; TNNT_PERAM; TNT_HUMAN; U73B4_ARATH; U73C1_ARATH | ChEBI |
