SMILES:
COc1ccc(C)c(Oc2ccc(N)cn2)c1Molecular Processing
Molecular formula
C13H14N2O2
Molecular weight
230.27
Exact mass
230.1055
XLogP
2.77
TPSA
57.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
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
0.154
Molar refractivity
66.45
Supplementary Information
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