SMILES:
CC(=O)OCCOC1CCCCC1NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1Molecular Processing
Molecular formula
C26H27Cl2N3O4
Molecular weight
516.43
Exact mass
515.1379
XLogP
5.47
TPSA
82.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
135.12
Supplementary Information
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