7-hydroxy-10-oxidophenoxazin-10-ium-3-one

C12H7NO4 — CID 11077

IUPAC7-hydroxy-10-oxidophenoxazin-10-ium-3-one
SMILESO=c1ccc2[n+]([O-])c3ccc(O)cc3oc-2c1
InChIInChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H
InChIKeyPLXBWHJQWKZRKG-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.24
Rot. Bonds

About 7-hydroxy-10-oxidophenoxazin-10-ium-3-one

7-hydroxy-10-oxidophenoxazin-10-ium-3-one (PubChem CID 11077) has the molecular formula C12H7NO4 and a molecular weight of 229.19 g/mol. Its IUPAC name is 7-hydroxy-10-oxidophenoxazin-10-ium-3-one.

Molecular Properties

Compound Name7-hydroxy-10-oxidophenoxazin-10-ium-3-one
PubChem CID11077
Molecular FormulaC12H7NO4
Molecular Weight229.19 g/mol
Exact Mass229.04
IUPAC Name7-hydroxy-10-oxidophenoxazin-10-ium-3-one
SMILESO=c1ccc2[n+]([O-])c3ccc(O)cc3oc-2c1
InChIInChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H
InChIKeyPLXBWHJQWKZRKG-UHFFFAOYSA-N
XLogP1.24
TPSA77.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-10-oxidophenoxazin-10-ium-3-one?
The IUPAC name of 7-hydroxy-10-oxidophenoxazin-10-ium-3-one (CID 11077) is 7-hydroxy-10-oxidophenoxazin-10-ium-3-one.
What is the SMILES notation for 7-hydroxy-10-oxidophenoxazin-10-ium-3-one?
The canonical SMILES for 7-hydroxy-10-oxidophenoxazin-10-ium-3-one is O=c1ccc2[n+]([O-])c3ccc(O)cc3oc-2c1.
What is the InChIKey of 7-hydroxy-10-oxidophenoxazin-10-ium-3-one?
The InChIKey is PLXBWHJQWKZRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO4/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6,14H.
What are the key properties of 7-hydroxy-10-oxidophenoxazin-10-ium-3-one?
7-hydroxy-10-oxidophenoxazin-10-ium-3-one has a molecular weight of 229.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-10-oxidophenoxazin-10-ium-3-one is sourced from PubChem (CID 11077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).