SMILES:
CC(C)C(O)(Cn1cncn1)c1ccc(C#CI)cc1Molecular Processing
Molecular formula
C15H16IN3O
Molecular weight
381.22
Exact mass
381.0338
XLogP
2.57
TPSA
50.94
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
86.1
Supplementary Information
Загрузка подробностей…
Участвует в 1 реакциях→