SMILES:
CCCc1cc(C)c(OCCN)c(Cl)c1Molecular Processing
Molecular formula
C12H18ClNO
Molecular weight
227.73
Exact mass
227.1077
XLogP
2.94
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.73
Supplementary Information
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