SMILES:
O=C(CCl)NN1C(CNC(=O)OCc2ccccc2)=Nc2ccc(Cl)cc2C1(O)c1ccccc1ClMolecular Processing
Molecular formula
C25H21Cl3N4O4
Molecular weight
547.83
Exact mass
546.0628
XLogP
4.73
TPSA
103.26
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
138.33
Supplementary Information
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