Nc1nccn2c(C3CCC(CO)CC3)nc(I)c12
Name: [4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]methanol
SMILES: Nc1nccn2c(C3CCC(CO)CC3)nc(I)c12

Molecular Processing

Molecular formula
C13H17IN4O
Molecular weight
372.21
Exact mass
372.0447
XLogP
2.18
TPSA
76.44
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
81.9

Supplementary Information

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