SMILES:
COc1ncc(-c2cccc(C)n2)c(OC)n1Molecular Processing
Molecular formula
C12H13N3O2
Molecular weight
231.25
Exact mass
231.1008
XLogP
1.86
TPSA
57.13
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
63.1
Supplementary Information
Fetching details…
Involved in 2 reactions→