SMILES:
CC1CNC(=O)c2cc3ccc(Cl)nc3n21Molecular Processing
Molecular formula
C11H10ClN3O
Molecular weight
235.67
Exact mass
235.0512
XLogP
1.99
TPSA
46.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
61.79
Supplementary Information
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