الاسم: 9-(3-chloro-phenyl)-1,4-dioxa-9-aza-dispiro[4.1.4.3]tetradecan-8-one
SMILES:
O=C1N(c2cccc(Cl)c2)CCC12CCCC1(C2)OCCO1Molecular Processing
Molecular formula
C17H20ClNO3
Molecular weight
321.8
Exact mass
321.1132
XLogP
3.38
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
83.96
Supplementary Information
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