이름: 2-cyano-2-(2,4-dichlorophenyl)decan-1-ol
SMILES:
CCCCCCCCC(C#N)(CO)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C17H23Cl2NO
Molecular weight
328.28
Exact mass
327.1157
XLogP
5.5
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
88.83
Supplementary Information
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