SMILES:
COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1CCCC(OCCNCC#N)c2cc(Cl)ccc21Molecular Processing
Molecular formula
C29H28Cl2N4O4
Molecular weight
567.47
Exact mass
566.1488
XLogP
5.87
TPSA
103.69
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
151.94
Supplementary Information
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