OC[C@H]1N[C@@H](c2cnc3c(O)nc[nH]c2-3)C[C@@H]1O
Name: product
SMILES: OC[C@H]1N[C@@H](c2cnc3c(O)nc[nH]c2-3)C[C@@H]1O

Molecular Processing

Molecular formula
C11H14N4O3
Molecular weight
250.26
Exact mass
250.1066
XLogP
-0.63
TPSA
114.29
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
62.04

Supplementary Information

Details werden geladen…

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