이름: 2-(5-amino-2-chloro-4-methyl-phenyl)-malonic acid diethyl ester
SMILES:
CCOC(=O)C(C(=O)OCC)c1cc(N)c(C)cc1ClMolecular Processing
Molecular formula
C14H18ClNO4
Molecular weight
299.75
Exact mass
299.0924
XLogP
2.44
TPSA
78.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
76.61
Supplementary Information
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