الاسم: 2-iodo-NECA
SMILES:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)C(O)[C@H]1OMolecular Processing
Molecular formula
C12H15IN6O4
Molecular weight
434.19
Exact mass
434.02
XLogP
-1.23
TPSA
148.41
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
87.06
Supplementary Information
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