SMILES:
COc1cc(C=C(CCO)C(=O)OC(C)(C)C)ccc1-n1cnc(C)c1Molecular Processing
Molecular formula
C20H26N2O4
Molecular weight
358.44
Exact mass
358.1893
XLogP
3.3
TPSA
73.58
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
100.38
Supplementary Information
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