이름: (S)-2-(2,6-dichlorobenzamido)pent-4-enoic acid methyl ester
SMILES:
C=CC[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)OCMolecular Processing
Molecular formula
C13H13Cl2NO3
Molecular weight
302.16
Exact mass
301.0272
XLogP
2.84
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
74.55
Supplementary Information
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