SMILES:
O=C1N(CCC2CC2)c2ccccc2C1(CO)c1cc2c(cc1O)OCO2Molecular Processing
Molecular formula
C21H21NO5
Molecular weight
367.4
Exact mass
367.142
XLogP
2.55
TPSA
79.23
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
98.23
Supplementary Information
Details werden geladen…
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