Nombre: 2-(4-decoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
SMILES:
CCCCCCCCCCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(=O)OMolecular Processing
Molecular formula
C24H29NO4
Molecular weight
395.5
Exact mass
395.2097
XLogP
6.71
TPSA
72.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
114.51
Supplementary Information
InChIKey: FONSKJFIGBEZGR-UHFFFAOYSA-N
Sinónimos
SCHEMBL8308595FONSKJFIGBEZGR-UHFFFAOYSA-N2-(4-decyloxyphenyl)-5-carboxybenzooxazole
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