SMILES:
O=C(CCC1CCC2C(C=CC3=CCCc4c3n2c2ccncc42)C1)c1ccccc1Molecular Processing
Molecular formula
C28H28N2O
Molecular weight
408.55
Exact mass
408.2202
XLogP
6.56
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
31
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
125.05
Supplementary Information
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