SMILES:
CCCc1c(OCCCC#N)ccc(Cl)c1ClMolecular Processing
Molecular formula
C13H15Cl2NO
Molecular weight
272.18
Exact mass
271.0531
XLogP
4.63
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
17
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
0.462
Molar refractivity
70.8
Supplementary Information
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