SMILES:
CCCc1c(OCCCCC#N)ccc(Cl)c1ClMolecular Processing
Molecular formula
C14H17Cl2NO
Molecular weight
286.2
Exact mass
285.0687
XLogP
5.02
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
18
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
0.5
Molar refractivity
75.42
Supplementary Information
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