O=C1CCC(n2cc(I)c3c(Cl)ncnc32)CC1
CAS: 862728-42-5
Nombre: 4-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-one
SMILES: O=C1CCC(n2cc(I)c3c(Cl)ncnc32)CC1

Molecular Processing

Molecular formula
C12H11ClIN3O
Molecular weight
375.6
Exact mass
374.9635
XLogP
3.37
TPSA
47.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
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
0.417
Molar refractivity
77.77

Supplementary Information

InChIKey: JFPJUZDNEPXUSN-UHFFFAOYSA-N
Sinónimos
862728-42-54-(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanone4-{4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclohexan-1-one4-(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-one4-(4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)-cyclohexanoneSCHEMBL3819981DTXSID40627952JFPJUZDNEPXUSN-UHFFFAOYSA-N4-(4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1-cyclohexanone
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