이름: 3-(p-chlorobenzoyl)-1-(p-chlorophenyl)-3-azabicyclo[3.1.0]hexane
SMILES:
O=C(c1ccc(Cl)cc1)N1CC2CC2(c2ccc(Cl)cc2)C1Molecular Processing
Molecular formula
C18H15Cl2NO
Molecular weight
332.23
Exact mass
331.0531
XLogP
4.41
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
88.59
Supplementary Information
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