C#CCOC(C#N)c1ccc(Cl)cc1
SMILES: C#CCOC(C#N)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C11H8ClNO
Molecular weight
205.64
Exact mass
205.0294
XLogP
2.55
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
54.59

Supplementary Information

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