名称: 1-[2-(4,4-dimethylcyclohex-1-enyl)-5-methoxyphenyl]piperazine
SMILES:
COc1ccc(C2=CCC(C)(C)CC2)c(N2CCNCC2)c1Molecular Processing
Molecular formula
C19H28N2O
Molecular weight
300.45
Exact mass
300.2202
XLogP
3.7
TPSA
24.5
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
93.69
Supplementary Information
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