이름: 6-chloro-5-cyclopropyl-2-(4-oxopentyloxy)nicotinonitrile
SMILES:
CC(=O)CCCOc1nc(Cl)c(C2CC2)cc1C#NMolecular Processing
Molecular formula
C14H15ClN2O2
Molecular weight
278.74
Exact mass
278.0822
XLogP
3.23
TPSA
62.98
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
0.5
Molar refractivity
71.35
Supplementary Information
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