이름: 1-(2,2,2-trichloroethoxycarbonyl)-4-(2-naphthalenyloxy)piperidine
SMILES:
O=C(OCC(Cl)(Cl)Cl)N1CCC(Oc2ccc3ccccc3c2)CC1Molecular Processing
Molecular formula
C18H18Cl3NO3
Molecular weight
402.71
Exact mass
401.0352
XLogP
5.19
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
100.81
Supplementary Information
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