SMILES:
Cc1cncc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2CO)c1Molecular Processing
Molecular formula
C19H16N4O2
Molecular weight
332.36
Exact mass
332.1273
XLogP
2.51
TPSA
97.09
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
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
0.158
Molar refractivity
92.43
Supplementary Information
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