Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| November 3rd, 2004 |
37 |
No
|
Popular Name:
(4S,6S,7R)-5-keto-2,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4,6,7,8-tetrahydro-1H-quinoline-3,6-
(4S,6S,7R)-5-keto-2,7-dimethyl-4…
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Physical Representations
|
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)
|
3.88 |
13.27 |
-23.06 |
1 |
11 |
0 |
146 |
532.571 |
10 |
↓
|
Rings
-
1,3-dioxole
-
1,4-dihydropyridine
-
Benzene
-
Cyclohex-2-en-1-one
-
1,3-benzodioxole
-
4,6,7,8-tetrahydro-1H-quinolin-5…
-
4-(1,3-benzodioxol-5-yl)-4,6,7,8…
No pre-computed analogs available. Try a structural similarity search.
