이름: (+)(2aS,4R)-6-acetyl-4-(di-n-propylamino)-1,2,2a,3,4,5-hexahydrobenz[cd]indole
SMILES:
CCCN(CCC)[C@H]1Cc2c(C(C)=O)ccc3c2[C@@H](CN3)C1Molecular Processing
Molecular formula
C19H28N2O
Molecular weight
300.45
Exact mass
300.2202
XLogP
3.84
TPSA
32.34
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
91.94
Supplementary Information
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