SMILES:
N#CCC(=O)Nc1cccc(Cl)c1Molecular Processing
Molecular formula
C9H7ClN2O
Molecular weight
194.62
Exact mass
194.0247
XLogP
2.19
TPSA
52.89
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
50.31
Supplementary Information
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