이름: methyl{4-[4-(1-isopropoxycyclopropyl)-phenylethynyl]-phenyl}-acetate
SMILES:
COC(=O)Cc1ccc(C#Cc2ccc(C3(OC(C)C)CC3)cc2)cc1Molecular Processing
Molecular formula
C23H24O3
Molecular weight
348.44
Exact mass
348.1725
XLogP
4.22
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
101.72
Supplementary Information
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