10-phenylphenoxazine-4,6-dicarboxylic acid

C20H13NO5 — CID 101021790

IUPAC10-phenylphenoxazine-4,6-dicarboxylic acid
SMILESO=C(O)c1cccc2c1Oc1c(C(=O)O)cccc1N2c1ccccc1
InChIInChI=1S/C20H13NO5/c22-19(23)13-8-4-10-15-17(13)26-18-14(20(24)25)9-5-11-16(18)21(15)12-6-2-1-3-7-12/h1-11H,(H,22,23)(H,24,25)
InChIKeyWLVQAYUUFLSCAC-UHFFFAOYSA-N
MW347.33 g/mol
LogP4.66
Rot. Bonds3

About 10-phenylphenoxazine-4,6-dicarboxylic acid

10-phenylphenoxazine-4,6-dicarboxylic acid (PubChem CID 101021790) has the molecular formula C20H13NO5 and a molecular weight of 347.33 g/mol. Its IUPAC name is 10-phenylphenoxazine-4,6-dicarboxylic acid.

Molecular Properties

Compound Name10-phenylphenoxazine-4,6-dicarboxylic acid
PubChem CID101021790
Molecular FormulaC20H13NO5
Molecular Weight347.33 g/mol
Exact Mass347.08
IUPAC Name10-phenylphenoxazine-4,6-dicarboxylic acid
SMILESO=C(O)c1cccc2c1Oc1c(C(=O)O)cccc1N2c1ccccc1
InChIInChI=1S/C20H13NO5/c22-19(23)13-8-4-10-15-17(13)26-18-14(20(24)25)9-5-11-16(18)21(15)12-6-2-1-3-7-12/h1-11H,(H,22,23)(H,24,25)
InChIKeyWLVQAYUUFLSCAC-UHFFFAOYSA-N
XLogP4.66
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10-phenylphenoxazine-4,6-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
10H-phenoxazine-4,6-dicarboxylic acid
CID 14031272
10-[tert-butyl(dimethyl)silyl]phenoxazine-4-carboxylic acid
CID 21276390
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
barium(2+);hydride;phthalic acid
CID 173000011
hydride;phthalic acid;rubidium(1+)
CID 173256629
magnesium;hydride;phthalic acid
CID 173000994
dilithium;hydride;phthalic acid
CID 173011412
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
azane;phthalic acid;hydrochloride
CID 175440203

Frequently Asked Questions

What is the IUPAC name of 10-phenylphenoxazine-4,6-dicarboxylic acid?
The IUPAC name of 10-phenylphenoxazine-4,6-dicarboxylic acid (CID 101021790) is 10-phenylphenoxazine-4,6-dicarboxylic acid.
What is the SMILES notation for 10-phenylphenoxazine-4,6-dicarboxylic acid?
The canonical SMILES for 10-phenylphenoxazine-4,6-dicarboxylic acid is O=C(O)c1cccc2c1Oc1c(C(=O)O)cccc1N2c1ccccc1.
What is the InChIKey of 10-phenylphenoxazine-4,6-dicarboxylic acid?
The InChIKey is WLVQAYUUFLSCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO5/c22-19(23)13-8-4-10-15-17(13)26-18-14(20(24)25)9-5-11-16(18)21(15)12-6-2-1-3-7-12/h1-11H,(H,22,23)(H,24,25).
What are the key properties of 10-phenylphenoxazine-4,6-dicarboxylic acid?
10-phenylphenoxazine-4,6-dicarboxylic acid has a molecular weight of 347.33 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylphenoxazine-4,6-dicarboxylic acid is sourced from PubChem (CID 101021790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).