Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 24th, 2009 |
35 |
No
|
Popular Name:
(1S,3aS,3bS,9aR,9bS,11aS)-N-[1-(4-chlorophenyl)cyclopentyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,
(1S,3aS,3bS,9aR,9bS,11aS)-N-[1-(…
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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)
|
6.95 |
12.59 |
-13 |
2 |
4 |
0 |
58 |
495.107 |
3 |
↓
|
Rings
-
Cyclopentane
-
Benzene
-
Cyclohexane
-
Cyclohexene
-
6-methylene-2-piperidone
-
1,2,3,3a,3b,4,6,8,9,9a,9b,10,11,…
-
7-keto-N-(1-phenylcyclopentyl)-1…
No pre-computed analogs available. Try a structural similarity search.