SMILES:
CC(=O)CCC1CCC2C(C=CC3=CCCc4c3n2c2ccncc42)C1Molecular Processing
Molecular formula
C23H26N2O
Molecular weight
346.47
Exact mass
346.2045
XLogP
5.26
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
104.95
Supplementary Information
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