C1=CC=C(C=C1)C2=C(C=NO2)CCC(=O)O
Name: 3-(5-phenyl-1,2-oxazol-4-yl)propanoic acid
SMILES: C1=CC=C(C=C1)C2=C(C=NO2)CCC(=O)O

Molecular Processing

Molecular formula
C12H11NO3
Molecular weight
217.22
Exact mass
217.0739
XLogP
2.36
TPSA
63.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
57.9

Supplementary Information

InChIKey: FBTADUZOZPVTSM-UHFFFAOYSA-N
Synonyme
3-(5-phenyl-4-isoxazolyl)propionic acidSCHEMBL5774472FBTADUZOZPVTSM-UHFFFAOYSA-N
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