naphthalene-1,2,3-tricarboxylic acid;titanium

C13H8O6Ti — CID 158850397

IUPACnaphthalene-1,2,3-tricarboxylic acid;titanium
SMILESO=C(O)c1cc2ccccc2c(C(=O)O)c1C(=O)O.[Ti]
InChIInChI=1S/C13H8O6.Ti/c14-11(15)8-5-6-3-1-2-4-7(6)9(12(16)17)10(8)13(18)19;/h1-5H,(H,14,15)(H,16,17)(H,18,19);
InChIKeyIZJKVADPASDDFD-UHFFFAOYSA-N
MW308.07 g/mol
LogP1.93
Rot. Bonds3

About naphthalene-1,2,3-tricarboxylic acid;titanium

naphthalene-1,2,3-tricarboxylic acid;titanium (PubChem CID 158850397) has the molecular formula C13H8O6Ti and a molecular weight of 308.07 g/mol. Its IUPAC name is naphthalene-1,2,3-tricarboxylic acid;titanium.

Molecular Properties

Compound Namenaphthalene-1,2,3-tricarboxylic acid;titanium
PubChem CID158850397
Molecular FormulaC13H8O6Ti
Molecular Weight308.07 g/mol
Exact Mass307.98
IUPAC Namenaphthalene-1,2,3-tricarboxylic acid;titanium
SMILESO=C(O)c1cc2ccccc2c(C(=O)O)c1C(=O)O.[Ti]
InChIInChI=1S/C13H8O6.Ti/c14-11(15)8-5-6-3-1-2-4-7(6)9(12(16)17)10(8)13(18)19;/h1-5H,(H,14,15)(H,16,17)(H,18,19);
InChIKeyIZJKVADPASDDFD-UHFFFAOYSA-N
XLogP1.93
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22665121
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CID 87515449
naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
naphthalene-1,2,3,6,7-pentacarboxylic acid
CID 101297529
benzo[a]anthracene-9,10-dicarboxylic acid
CID 175115452
7-methylnaphthalene-1,2,3-tricarboxylic acid
CID 143435448
(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
CID 67114355

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,3-tricarboxylic acid;titanium?
The IUPAC name of naphthalene-1,2,3-tricarboxylic acid;titanium (CID 158850397) is naphthalene-1,2,3-tricarboxylic acid;titanium.
What is the SMILES notation for naphthalene-1,2,3-tricarboxylic acid;titanium?
The canonical SMILES for naphthalene-1,2,3-tricarboxylic acid;titanium is O=C(O)c1cc2ccccc2c(C(=O)O)c1C(=O)O.[Ti].
What is the InChIKey of naphthalene-1,2,3-tricarboxylic acid;titanium?
The InChIKey is IZJKVADPASDDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O6.Ti/c14-11(15)8-5-6-3-1-2-4-7(6)9(12(16)17)10(8)13(18)19;/h1-5H,(H,14,15)(H,16,17)(H,18,19);.
What are the key properties of naphthalene-1,2,3-tricarboxylic acid;titanium?
naphthalene-1,2,3-tricarboxylic acid;titanium has a molecular weight of 308.07 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,3-tricarboxylic acid;titanium is sourced from PubChem (CID 158850397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).