Nombre: (+)(2aS,4R)-6-(3-isoxazolyl)-4-(di-n-propylamino)-1,2,2a,3,4,5-hexahydrobenz[cd]indole
SMILES:
CCCN(CCC)[C@H]1Cc2c(-c3ccon3)ccc3c2[C@@H](CN3)C1Molecular Processing
Molecular formula
C20H27N3O
Molecular weight
325.46
Exact mass
325.2154
XLogP
4.29
TPSA
41.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
97.43
Supplementary Information
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