이름: (+) ethyl 2-(2,4-dichloro-3-nitro-5-fluorobenzoyl)-3-[(1-acetoxyprop-2(S)-yl)amino]acrylate
SMILES:
CCOC(=O)C(=CN[C@@H](C)COC(C)=O)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
9
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
101.35
Supplementary Information
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