SMILES:
CCC1=C2c3cc4c(cc3CC[NH+]2Cc2c1ccc(OC)c2OC)OCO4Molecular Processing
Molecular formula
C22H24NO4+
Molecular weight
366.44
Exact mass
366.17
XLogP
2.67
TPSA
41.36
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
2
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
102.45
Supplementary Information
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