SMILES:
O=C(NC(C(=O)O)C1CC(Cl)=NO1)OCC1c2ccccc2-c2ccccc21Molecular Processing
Molecular formula
C20H17ClN2O5
Molecular weight
400.82
Exact mass
400.0826
XLogP
3.32
TPSA
97.22
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
102.41
Supplementary Information
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