SMILES:
C=Cc1ccc2c(cnn2C2CCCCO2)c1Molecular Processing
Molecular formula
C14H16N2O
Molecular weight
228.29
Exact mass
228.1263
XLogP
3.38
TPSA
27.05
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
68.66
Supplementary Information
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