이름: 6-chloro-5-cyclopropyl-2-(2-isopropoxyethoxy)nicotinonitrile
SMILES:
CC(C)OCCOc1nc(Cl)c(C2CC2)cc1C#NMolecular Processing
Molecular formula
C14H17ClN2O2
Molecular weight
280.75
Exact mass
280.0979
XLogP
3.29
TPSA
55.14
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
72.52
Supplementary Information
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