SMILES:
CCC#CCOc1cc(N2CC(C)CC(C)C2)ncn1Molecular Processing
Molecular formula
C16H23N3O
Molecular weight
273.38
Exact mass
273.1841
XLogP
2.75
TPSA
38.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
80.75
Supplementary Information
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