이름: compound
SMILES:
O=C(O)c1ccc(-n2nnc3cccnc32)cn1Molecular Processing
Molecular formula
C11H7N5O2
Molecular weight
241.21
Exact mass
241.06
XLogP
0.91
TPSA
93.79
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
61.41
Supplementary Information
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