SMILES:
Cc1cncc(C2C(C#N)=C(N)Oc3c2ccc2c3CCN2C)c1Molecular Processing
Molecular formula
C19H18N4O
Molecular weight
318.38
Exact mass
318.1481
XLogP
2.6
TPSA
75.17
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
91.69
Supplementary Information
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