SMILES:
Oc1cccc2c1CCOC2C1=NCCN1Molecular Processing
Molecular formula
C12H14N2O2
Molecular weight
218.26
Exact mass
218.1055
XLogP
1.01
TPSA
53.85
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.81
Supplementary Information
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