In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 12 | No |
Popular Name: Piperazine, 1-(2-chloroethyl)-4-propyl- (9CI) Piperazine, 1-(2-chloroethyl)-4-…
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CAS Number: 342403-10-5
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) | 1.72 | 4.91 | -33.92 | 1 | 2 | 1 | 8 | 191.726 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 2.65 | -1.51 | 0 | 2 | 0 | 6 | 190.718 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.72 | 4.92 | -35.38 | 1 | 2 | 1 | 8 | 191.726 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4711889 | IBM Patent Data |