CCCCCN[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
SMILES: CCCCCN[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5

Molecular Processing

Molecular formula
C25H36N2O3
Molecular weight
412.57
Exact mass
412.2726
XLogP
3.1
TPSA
64.96
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
6
Aromatic rings
1
Saturated rings
3
Aliphatic rings
5
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.76
Molar refractivity
116.11

Supplementary Information

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