SMILES:
COc1cc(OC)cc(N2CCNCC2)c1Molecular Processing
Molecular formula
C12H18N2O2
Molecular weight
222.29
Exact mass
222.1368
XLogP
1.11
TPSA
33.73
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.63
Supplementary Information
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