SMILES:
COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1Molecular Processing
Molecular formula
C20H18Cl2N2O4
Molecular weight
421.28
Exact mass
420.0644
XLogP
5.57
TPSA
73.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
109.46
Supplementary Information
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