IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
1-Iodononane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015192
Phytochemical name:
1-Iodononane
Synonymous chemical names:
1-iodo-nonane, 1-iodononane
External chemical identifiers:
CID:20275
,
ChEMBL:CHEMBL3184063
,
ZINC:ZINC000001686992
,
SureChEMBL:SCHEMBL873434
,
MolPort-001-768-910
Chemical structure information
SMILES:
CCCCCCCCCI
InChI:
InChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKey:
OGSJMFCWOUHXHN-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCI
Functional groups:
CI
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organohalogen compounds
ClassyFire Class:
Organoiodides
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Halogenated hydrocarbons
NP-Likeness score:
0.332
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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