C=CC[C@@H](C(=O)O)N(C)C(=O)CCCCC
名称: (S)-2-(N-Methylhexanamido)pent-4-enoic acid
SMILES: C=CC[C@@H](C(=O)O)N(C)C(=O)CCCCC

Molecular Processing

Molecular formula
C12H21NO3
Molecular weight
227.3
Exact mass
227.1521
XLogP
2.05
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
63.15

Supplementary Information

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