SMILES:
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCBr)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C18H19BrN2O6
Molecular weight
439.26
Exact mass
438.0426
XLogP
2.94
TPSA
107.77
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
101.14
Supplementary Information
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