CHEMBL3764185

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 71543393
Molecular Formula

C14H17ClN2O

SMILES

CC1=C(C=CC(=C1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O

InChI

InChI=1S/C14H17ClN2O/c1-9-11(6-5-10(8-16)13(9)15)17-12-4-3-7-14(12,2)18/h5-6,12,17-18H,3-4,7H2,1-2H3/t12-,14-/m1/s1

synonyms
  • CHEMBL3764185
  • 2-Chloro-4-{[(1r,2r)-2-Hydroxy-2-Methylcyclopentyl]amino}-3-Methylbenzonitrile
  • 1430230-83-3
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Properties
Property Value
MW 264.75 g/mol
HBD 2
HBA 3
Rotatable Bond Count 2
Exact Mass 264.1029409 g/mol
Monoisotopic Mass 264.1029409 g/mol
Heavy Atom Count 18
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 353
xlogp 3.1
Topological Polar Surface Area 56.1