COc1ccccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1.O=C(O)/C=C/C(=O)O
SMILES: COc1ccccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1.O=C(O)/C=C/C(=O)O

Molecular Processing

Molecular formula
C26H29FN2O7
Molecular weight
500.52
Exact mass
500.1959
XLogP
4.34
TPSA
122.33
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.346
Molar refractivity
129.9

Supplementary Information

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