SMILES:
NC(CO)c1nc2cc(Cl)ccc2[nH]1Molecular Processing
Molecular formula
C9H10ClN3O
Molecular weight
211.65
Exact mass
211.0512
XLogP
1.21
TPSA
74.93
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
55.12
Supplementary Information
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