SMILES:
CCC(OC(C)=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(OC)cc1ClMolecular Processing
Molecular formula
C22H23Cl2N3O3
Molecular weight
448.35
Exact mass
447.1116
XLogP
5.91
TPSA
56.59
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
119.17
Supplementary Information
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