SMILES:
CCOC(=O)c1cc(Cl)ncn1Molecular Processing
Molecular formula
C7H7ClN2O2
Molecular weight
186.6
Exact mass
186.0196
XLogP
1.31
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
43
Supplementary Information
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