Pregnenolone Carbonitrile

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 200
Total Number of Articles : 268
PubChem 15032
Molecular Formula

C22H31NO2

SMILES

CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C#N

InChI

InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1

synonyms
  • PREGNENOLONE CARBONITRILE
  • 1434-54-4
  • Pregnenolone-16alpha-carbonitrile
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Properties
Property Value
MW 341.5 g/mol
HBD 1
HBA 3
Rotatable Bond Count 1
Exact Mass 341.235479232 g/mol
Monoisotopic Mass 341.235479232 g/mol
Heavy Atom Count 25
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 673
xlogp 3.4
Topological Polar Surface Area 61.1