이름: 7-fluoro-2-(2-hydroxypropan-2-yl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES:
Cc1c(-c2ccccc2)c(F)c2oc(C(C)(C)O)nc2c1C#NMolecular Processing
Molecular formula
C18H15FN2O2
Molecular weight
310.33
Exact mass
310.1118
XLogP
4.04
TPSA
70.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
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
0.222
Molar refractivity
84.1
Supplementary Information
InChIKey: UWXFLKGIQVYKNP-UHFFFAOYSA-N
동의어
SCHEMBL3295422UWXFLKGIQVYKNP-UHFFFAOYSA-N7-Fluoro-2-(1-hydroxy-1-methylethyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
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