SMILES:
COc1ccc(-c2nn(C)c3c2C(c2ccccc2)C(C#N)=C(N)O3)cc1Molecular Processing
Molecular formula
C21H18N4O2
Molecular weight
358.4
Exact mass
358.143
XLogP
3.31
TPSA
86.09
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
100.94
Supplementary Information
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