SMILES:
Cc1cc(O)ccc1CCCCn1ccnn1Molecular Processing
Molecular formula
C13H17N3O
Molecular weight
231.3
Exact mass
231.1372
XLogP
2.32
TPSA
50.94
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
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
0.385
Molar refractivity
65.8
Supplementary Information
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