SMILES:
Cl.c1cc2c(c(C3CCC3)c1)OCCNC2Molecular Processing
Molecular formula
C13H18ClNO
Molecular weight
239.75
Exact mass
239.1077
XLogP
2.86
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.538
Molar refractivity
67.48
Supplementary Information
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