SMILES:
Cc1cc(Nc2nnc(-c3ccc(Cl)s3)[nH]2)ccc1N1C(=O)c2ccc(Cl)cc2C1=OMolecular Processing
Molecular formula
C21H13Cl2N5O2S
Molecular weight
470.34
Exact mass
469.0167
XLogP
5.69
TPSA
90.98
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
121.76
Supplementary Information
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