Name: ethyl 9-iodo-5H-spiro[benzo[b]pyrazolo[1,5-d][1,4]oxazepine-4,1′-cyclopropane]-2-carboxylate
SMILES:
CCOC(=O)c1cc2n(n1)-c1cc(I)ccc1OCC21CC1Molecular Processing
Molecular formula
C16H15IN2O3
Molecular weight
410.21
Exact mass
410.0127
XLogP
3.08
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
88.64
Supplementary Information
Details werden geladen…
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