SMILES:
CN1N=C(c2ccc(Cl)cc2)CCC1=OMolecular Processing
Molecular formula
C11H11ClN2O
Molecular weight
222.67
Exact mass
222.056
XLogP
2.3
TPSA
32.67
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
59.99
Supplementary Information
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