SMILES:
O=C1c2cc3c(cc2CCN1CC1CCCCN(CCc2ccc4ccccc4c2)C1)OCO3Molecular Processing
Molecular formula
C29H32N2O3
Molecular weight
456.59
Exact mass
456.2413
XLogP
4.91
TPSA
42.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
133.61
Supplementary Information
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