이름: 2-fluoro-4-(2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)-benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(C)(C)O3)cc1FMolecular Processing
Molecular formula
C23H23FO3
Molecular weight
366.43
Exact mass
366.1631
XLogP
4.85
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
102.51
Supplementary Information
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