이름: 2-((3R,11S,E)-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl)acetic acid
SMILES:
O=C(O)C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=OMolecular Processing
Molecular formula
C18H21NO5
Molecular weight
331.37
Exact mass
331.142
XLogP
2.22
TPSA
92.7
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
87.02
Supplementary Information
No supplementary data available
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