이름: product
SMILES:
CCOC(=O)CCNC=C(C(=O)OCC)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1ClMolecular Processing
Molecular formula
C17H17Cl2FN2O7
Molecular weight
451.23
Exact mass
450.0397
XLogP
3.21
TPSA
124.84
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
101.37
Supplementary Information
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