이름: ethyl 1-hydroxy-1,3-diphenyl-6-(3-phenylpropoxy)indene-2-carboxylate
SMILES:
CCOC(=O)C1=C(C2=C(C1(C3=CC=CC=C3)O)C=C(C=C2)OCCCC4=CC=CC=C4)C5=CC=CC=C5Molecular Processing
Molecular formula
C33H30O4
Molecular weight
490.6
Exact mass
490.2144
XLogP
6.31
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
37
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
0.182
Molar refractivity
145.24
Supplementary Information
InChIKey: WOPJQEXRDMICRB-UHFFFAOYSA-N
동의어
SCHEMBL3573324WOPJQEXRDMICRB-UHFFFAOYSA-N1-hydroxy-1,3-diphenyl-6-(3-phenyl-propoxy)-1H-indene-2-carboxylic acid ethyl ester
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