Name: Ethyl 3-(4,7-dichloro-2-methylnaphthalen-1-yl)propanoate
SMILES:
CCOC(=O)CCc1c(C)cc(Cl)c2ccc(Cl)cc12Molecular Processing
Molecular formula
C16H16Cl2O2
Molecular weight
311.21
Exact mass
310.0527
XLogP
4.95
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
83.66
Supplementary Information
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