Nombre: (±)-6-cyano-4-(di-n-propylamino)-1,2,2a,3,4,5-hexahydrobenz[cd]indole
SMILES:
CCCN(CCC)C1Cc2c(C#N)ccc3c2C(CN3)C1Molecular Processing
Molecular formula
C18H25N3
Molecular weight
283.42
Exact mass
283.2048
XLogP
3.5
TPSA
39.06
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
86.65
Supplementary Information
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