Name: 3-(2-chloropropionylamino)propionic acid methyl ester
SMILES:
COC(=O)CCNC(=O)C(C)ClMolecular Processing
Molecular formula
C7H12ClNO3
Molecular weight
193.63
Exact mass
193.0506
XLogP
0.29
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
44.96
Supplementary Information
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