Name: compound
SMILES:
C(#Cc1ccccc1)C1=NOC2(CCC3(CC2)OCCO3)C1Molecular Processing
Molecular formula
C18H19NO3
Molecular weight
297.35
Exact mass
297.1365
XLogP
2.87
TPSA
40.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
82.29
Supplementary Information
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