이름: 6-chloro-2'-propionylspiro[benzofuran-2(3H),4'(2'H)-isoquinoline]
SMILES:
CCC(=O)N1Cc2ccccc2C2(Cc3ccc(Cl)cc3O2)C1Molecular Processing
Molecular formula
C19H18ClNO2
Molecular weight
327.81
Exact mass
327.1026
XLogP
3.92
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
89.61
Supplementary Information
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