SMILES:
COC(=O)C1=C(C)NC(C)=C(C(=O)Cl)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C16H15ClN2O5
Molecular weight
350.76
Exact mass
350.0669
XLogP
2.77
TPSA
98.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
87.25
Supplementary Information
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