이름: (5-amino-2-chloro-4-methyl-phenyl)-acetic acid ethyl ester
SMILES:
CCOC(=O)Cc1cc(N)c(C)cc1ClMolecular Processing
Molecular formula
C11H14ClNO2
Molecular weight
227.69
Exact mass
227.0713
XLogP
2.34
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.94
Supplementary Information
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