C=Cc1cn(C2OC(CO)C(O)C2(C)O)c2ncnc(NO)c12
SMILES: C=Cc1cn(C2OC(CO)C(O)C2(C)O)c2ncnc(NO)c12

Molecular Processing

Molecular formula
C14H18N4O5
Molecular weight
322.32
Exact mass
322.1277
XLogP
-0.12
TPSA
132.89
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
80.65

Supplementary Information

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