C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=NO)CCC4=C3[C@@H](c3ccc(-c4cccnc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=NO)CCC4=C3[C@@H](c3ccc(-c4cccnc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1

Molecular Processing

Molecular formula
C34H38N2O2
Molecular weight
506.69
Exact mass
506.2933
XLogP
7.75
TPSA
62.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
38
Rings
7
Aromatic rings
2
Saturated rings
3
Aliphatic rings
5
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
149.92

Supplementary Information

Details werden geladen…

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