Name: compound 55
SMILES:
OC(Cc1ccccc1-c1ccccc1)(C1CCOCC1)C1CN(Cc2ccccc2)CCO1Molecular Processing
Molecular formula
C30H35NO3
Molecular weight
457.61
Exact mass
457.2617
XLogP
4.95
TPSA
41.93
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
135.53
Supplementary Information
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