SMILES:
COC(=O)c1ccc(C(C)NC(=O)c2cc(Cl)cnc2Oc2ccccc2)cc1Molecular Processing
Molecular formula
C22H19ClN2O4
Molecular weight
410.86
Exact mass
410.1033
XLogP
4.8
TPSA
77.52
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
109.43
Supplementary Information
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