SMILES:
CC(C)(C)OC(=O)Nc1cnc(Cl)cc1IMolecular Processing
Molecular formula
C10H12ClIN2O2
Molecular weight
354.57
Exact mass
353.9632
XLogP
3.69
TPSA
51.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
71.82
Supplementary Information
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