SMILES:
COc1ccc2[nH]c3c(c2c1)C1C(=O)NC(=O)C1C(c1c(Cl)cccc1OC)C3Molecular Processing
Molecular formula
C22H19ClN2O4
Molecular weight
410.86
Exact mass
410.1033
XLogP
3.53
TPSA
80.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.68
Supplementary Information
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