الاسم: 2-(2,4-dichlorophenyl)-5-(1-piperidinyl)valeronitrile
SMILES:
N#CC(CCCN1CCCCC1)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C16H20Cl2N2
Molecular weight
311.26
Exact mass
310.1004
XLogP
4.87
TPSA
27.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
84.34
Supplementary Information
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