Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 10th, 2004 |
17 |
Yes
|
Popular Name:
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-(2,3-dihydroxypropyl)-; 3-Oxo-4-(2,3-dihydroxypropyl)-6-chloro-2,3-dihydro-1,4-benzoxazine; 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2,3-dihydroxypropyl)-; 6-Chloro-4-(2,3-dihydroxypropyl)-2,3-dihydro-4H-1,4
2H-1,4-Benzoxazin-3(4H)-one, 6-c…
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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)
|
0.61 |
-0.64 |
-11.16 |
2 |
5 |
0 |
70 |
257.673 |
3 |
↓
|
No pre-computed analogs available. Try a structural similarity search.
