minoxidil   

GtoPdb Ligand ID: 4254

Synonyms: Rogaine®
minoxidil is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: The structure shown here is the same as the INN-assigned structure for this compound. The charges represent the movement of electrons towards the oxygen atom. Our representation of the structure is different to that shown on PubChem, where the molecule is shown without the charges.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 95.11
Molecular weight 209.13
XLogP 2.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Nc1cc(nc([n+]1[O-])N)N1CCCCC1
Isomeric SMILES Nc1cc(nc([n+]1[O-])N)N1CCCCC1
InChI InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
InChI Key ZFMITUMMTDLWHR-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel