SMILES:
O=C1CCCN1c1cncc(-c2cnc3[nH]ccc3c2)n1Molecular Processing
Molecular formula
C15H13N5O
Molecular weight
279.3
Exact mass
279.112
XLogP
2.15
TPSA
74.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
78.71
Supplementary Information
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