이름: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutanoic acid
SMILES:
COc1ccccc1N1CCN(CCC(C(=O)O)c2ccccc2)CC1Molecular Processing
Molecular formula
C21H26N2O3
Molecular weight
354.45
Exact mass
354.1943
XLogP
3.08
TPSA
53.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
103.08
Supplementary Information
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