Name: 8-MeO-CIEPAT
SMILES:
CCCN(CCCl)C1CCc2cccc(OC)c2C1Molecular Processing
Molecular formula
C16H24ClNO
Molecular weight
281.83
Exact mass
281.1546
XLogP
3.5
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
81.39
Supplementary Information
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