이름: 9-fluoro-7-nitro-2,3,3a,4-tetrahydro-1H-benzo[b]pyrrolo[1,2-d][1,4]oxazine
SMILES:
O=[N+]([O-])c1cc(F)c2c(c1)OCC1CCCN21Molecular Processing
Molecular formula
C11H11FN2O3
Molecular weight
238.22
Exact mass
238.0754
XLogP
2.1
TPSA
55.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
58.92
Supplementary Information
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