SMILES:
CC#CCOc1cc(N2CCCC2C)ncn1Molecular Processing
Molecular formula
C13H17N3O
Molecular weight
231.3
Exact mass
231.1372
XLogP
1.87
TPSA
38.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
67.02
Supplementary Information
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