名称: alcohol
SMILES:
O=[N+]([O-])c1nccn1Cc1cn(CCO)nn1Molecular Processing
Molecular formula
C8H10N6O3
Molecular weight
238.21
Exact mass
238.0814
XLogP
-0.58
TPSA
111.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
55.09
Supplementary Information
No supplementary data available
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