CC1(C)OC2C(CO)OC(n3cnc4c(N)nc(I)nc43)C2O1
SMILES: CC1(C)OC2C(CO)OC(n3cnc4c(N)nc(I)nc43)C2O1

Molecular Processing

Molecular formula
C13H16IN5O4
Molecular weight
433.21
Exact mass
433.0247
XLogP
0.42
TPSA
117.54
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
87.27

Supplementary Information

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