Name: 8-bromo-6-chloro-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid benzyl ester
SMILES:
O=C(OCc1ccccc1)N1CCOc2c(Br)cc(Cl)cc21Molecular Processing
Molecular formula
C16H13BrClNO3
Molecular weight
382.64
Exact mass
380.9767
XLogP
4.64
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
88.62
Supplementary Information
Details werden geladen…
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