이름: 3-(2,6-di-tertiary-butylcyclohexadienon-4-ylideneamino)phenoxyacetic acid
SMILES:
CC(C)(C)C1=CC(=Nc2cccc(OCC(=O)O)c2)C=C(C(C)(C)C)C1=OMolecular Processing
Molecular formula
C22H27NO4
Molecular weight
369.46
Exact mass
369.194
XLogP
4.75
TPSA
75.96
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
106.75
Supplementary Information
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