SMILES:
COc1cccc(CC2CCCC2(O)c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1Molecular Processing
Molecular formula
C28H27NO3
Molecular weight
425.53
Exact mass
425.1991
XLogP
6.25
TPSA
55.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
125.31
Supplementary Information
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