SMILES:
C#CCOc1cc(OCC#CCC)ncn1Molecular Processing
Molecular formula
C12H12N2O2
Molecular weight
216.24
Exact mass
216.0899
XLogP
1.28
TPSA
44.24
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
59.92
Supplementary Information
Загрузка подробностей…
Участвует в 3 реакциях→