SMILES:
COc1ccc(Nc2ccc3c(c2)CC(NCc2ccc(Cl)c(Cl)c2)C3)c(C(=O)O)c1Molecular Processing
Molecular formula
C24H22Cl2N2O3
Molecular weight
457.36
Exact mass
456.1007
XLogP
5.7
TPSA
70.59
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
124.18
Supplementary Information
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