이름: 8-ethyl-6-ethynyl-2,2,4,4-tetramethylchroman
SMILES:
C#Cc1cc(CC)c2c(c1)C(C)(C)CC(C)(C)O2Molecular Processing
Molecular formula
C17H22O
Molecular weight
242.36
Exact mass
242.1671
XLogP
4.07
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
76.11
Supplementary Information
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