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Chemistry

Mol. Mass

498.44

ALogP

1.85

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: O.O.CN1CCC[C@H]1c2cccnc2.OC(C(O)C(=O)O)C(=O)O.OC(C(O)C(=O)O)C(=O)O
  • InChIKey: LDMPZNTVIGIREC-CZEDPBFNSA-N
    InChI=1S/C10H14N2.2C4H6O6.2H2O/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10;;/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t10-;;;;/m0..../s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989563   ChEMBL

CHEMBL1201536   ChEMBL
nicotine polacrilex

CHEMBL1448280   ChEMBL
nicotine bitartrate

CHEMBL3   ChEMBL
nicotine

6M3C89ZY6R   NCATS
nicotine *

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