SMILES:
O=C(NC1(C(=O)O)CCCC1)c1ccc2ccccc2c1OCC1COc2ccccc2O1Molecular Processing
Molecular formula
C26H25NO6
Molecular weight
447.49
Exact mass
447.1682
XLogP
4.19
TPSA
94.09
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
122.1
Supplementary Information
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