SMILES:
COc1cc(NCCCN)nc2ccccc12Molecular Processing
Molecular formula
C13H17N3O
Molecular weight
231.3
Exact mass
231.1372
XLogP
2
TPSA
60.17
H-bond donors
2
H-bond acceptors
4
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
0.308
Molar refractivity
70.46
Supplementary Information
Récupération des détails…
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