SMILES:
CC1(C2CCCC2)Cc2cc(NCCO)c(Cl)c(Cl)c2C1=OMolecular Processing
Molecular formula
C17H21Cl2NO2
Molecular weight
342.27
Exact mass
341.0949
XLogP
4.33
TPSA
49.33
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
90.14
Supplementary Information
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