SMILES:
COc1cc(C#N)c(NC(=O)c2ccc(Cl)nc2)cc1OCMolecular Processing
Molecular formula
C15H12ClN3O3
Molecular weight
317.73
Exact mass
317.0567
XLogP
2.88
TPSA
84.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
81.46
Supplementary Information
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