O[C@H](COc1cccc2[nH]c3ccccc3c12)CN1CC2C/C=C\CC1CN2c1ccc2ccccc2c1
SMILES: O[C@H](COc1cccc2[nH]c3ccccc3c12)CN1CC2C/C=C\CC1CN2c1ccc2ccccc2c1

Molecular Processing

Molecular formula
C33H33N3O2
Molecular weight
503.65
Exact mass
503.2573
XLogP
6.12
TPSA
51.73
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
38
Rings
8
Aromatic rings
5
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
156.12

Supplementary Information

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