10-deuteriophenoxazine

C12H9NO — CID 138396006

IUPAC10-deuteriophenoxazine
SMILES[2H]N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H/i/hD
InChIKeyTZMSYXZUNZXBOL-DYCDLGHISA-N
MW184.22 g/mol
LogP3.54
Rot. Bonds

About 10-deuteriophenoxazine

10-deuteriophenoxazine (PubChem CID 138396006) has the molecular formula C12H9NO and a molecular weight of 184.22 g/mol. Its IUPAC name is 10-deuteriophenoxazine.

Molecular Properties

Compound Name10-deuteriophenoxazine
PubChem CID138396006
Molecular FormulaC12H9NO
Molecular Weight184.22 g/mol
Exact Mass184.07
IUPAC Name10-deuteriophenoxazine
SMILES[2H]N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H/i/hD
InChIKeyTZMSYXZUNZXBOL-DYCDLGHISA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-deuteriophenoxazine?
The IUPAC name of 10-deuteriophenoxazine (CID 138396006) is 10-deuteriophenoxazine.
What is the SMILES notation for 10-deuteriophenoxazine?
The canonical SMILES for 10-deuteriophenoxazine is [2H]N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-deuteriophenoxazine?
The InChIKey is TZMSYXZUNZXBOL-DYCDLGHISA-N. The full InChI is InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H/i/hD.
What are the key properties of 10-deuteriophenoxazine?
10-deuteriophenoxazine has a molecular weight of 184.22 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-deuteriophenoxazine is sourced from PubChem (CID 138396006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).