SMILES:
CCc1nn2ccc3c(c2c1C(C)O)CCO3Molecular Processing
Molecular formula
C13H16N2O2
Molecular weight
232.28
Exact mass
232.1212
XLogP
1.88
TPSA
46.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
64.4
Supplementary Information
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