Substance Information
In ZINC since |
Heavy atoms |
Benign functionality |
September 26th, 2005 |
25 |
Yes
|
Other Names:
zotan
1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-(3-(1,3-benzodioxol-5-yloxy)propyl)-, hydrochloride, (S)-
1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-(3-(1,3-benzodioxol-5-yloxy)propyl)-, hydrochloride, (S)-; 5-(3-((2S)-(1,4-Benzodioxan-2-ylmethyl)amino)propoxy)-1,3-benzodioxol hydrochloride; LS-34575
137275-80-0
3-(1,3-benzodioxol-5-yloxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine hydrochloride
5-(3-((2S)-(1,4-Benzodioxan-2-ylmethyl)amino)propoxy)-1,3-benzodioxol hydrochloride
AC1L55Z0
CID198746
DCL000885
LS-34575
MCI-242
Mkc 242
MKC-242
MolPort-005-943-180
Osemozotan (INN)
Osemozotan hydrochloride
Download:
MOL2
SDF
SMILES
Flexibase
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)
|
2.73 |
-1.81 |
-54.1 |
2 |
6 |
1 |
62 |
344.387 |
7 |
↓
|
No pre-computed analogs available. Try a structural similarity search.