SMILES:
CC(C)N1COC(COc2cccc3c2CCC(O)C3)C1.ClMolecular Processing
Molecular formula
C17H26ClNO3
Molecular weight
327.85
Exact mass
327.1601
XLogP
2.4
TPSA
41.93
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.647
Molar refractivity
88.8
Supplementary Information
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