이름: methyl{4-[4-(1-methoxycyclopropyl)-phenylethynyl]-phenyl}-acetate
SMILES:
COC(=O)Cc1ccc(C#Cc2ccc(C3(OC)CC3)cc2)cc1Molecular Processing
Molecular formula
C21H20O3
Molecular weight
320.39
Exact mass
320.1412
XLogP
3.44
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
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
0.286
Molar refractivity
92.51
Supplementary Information
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