이름: (S)-2-(2,6-dichlorobenzamido)pent-4-enoic acid
SMILES:
C=CC[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)OMolecular Processing
Molecular formula
C12H11Cl2NO3
Molecular weight
288.13
Exact mass
287.0116
XLogP
2.75
TPSA
66.4
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
18
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
0.167
Molar refractivity
70.17
Supplementary Information
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