Nombre: 4-Chloro-7,7a-dihydro-5-iodo-7-isopropyl-4aH-pyrrolo[2,3-d]pyrimidine
SMILES:
CC(C)N1C=C(I)C2C(Cl)=NC=NC21Molecular Processing
Molecular formula
C9H11ClIN3
Molecular weight
323.56
Exact mass
322.9686
XLogP
2.61
TPSA
27.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
0
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
68.14
Supplementary Information
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