名称: 3-{[2-(4,5-diphenyloxazol-2-yl)-2-cyclopenten-1-yl]methyl}benzoic acid
SMILES:
O=C(O)c1cccc(CC2CCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1Molecular Processing
Molecular formula
C28H23NO3
Molecular weight
421.5
Exact mass
421.1678
XLogP
6.74
TPSA
63.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
125.18
Supplementary Information
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