CCCc1c(N[C@@H](C(=O)O)[C@H](C)O)ccc(C#N)c1Cl
SMILES: CCCc1c(N[C@@H](C(=O)O)[C@H](C)O)ccc(C#N)c1Cl

Molecular Processing

Molecular formula
C14H17ClN2O3
Molecular weight
296.75
Exact mass
296.0928
XLogP
2.41
TPSA
93.35
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
76.89

Supplementary Information

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