O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC2CCC(C1)O2
名称: 3-(2,6-Dichloro-5-nitropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILES: O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC2CCC(C1)O2

Molecular Processing

Molecular formula
C10H10Cl2N4O3
Molecular weight
305.12
Exact mass
304.013
XLogP
2.06
TPSA
81.39
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
68.81

Supplementary Information

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