SMILES:
COc1cc(C(O)c2c[nH]c3ncc(Cl)cc23)c(Cl)cc1OCc1nc2ccccc2[nH]1Molecular Processing
Molecular formula
C23H18Cl2N4O3
Molecular weight
469.33
Exact mass
468.0756
XLogP
5.42
TPSA
96.05
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
123.6
Supplementary Information
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