SMILES:
COc1cc2oc(=O)c(C)c(C)c2cc1OCCCN1CCC(c2ccccc2)CC1Molecular Processing
Molecular formula
C26H31NO4
Molecular weight
421.54
Exact mass
421.2253
XLogP
5.07
TPSA
51.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
123.48
Supplementary Information
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