SMILES:
CC#CCOc1cc(N2CCC(C)CCC2C)ncn1Molecular Processing
Molecular formula
C16H23N3O
Molecular weight
273.38
Exact mass
273.1841
XLogP
2.89
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
80.8
Supplementary Information
Details werden geladen…
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