CID 174589079

C2H9NO6Ti — CID 174589079

IUPAC—
SMILESN.O.O=C(O)C(=O)O.[2H]O.[Ti]
InChIInChI=1S/C2H2O4.H3N.2H2O.Ti/c3-1(4)2(5)6;;;;/h(H,3,4)(H,5,6);1H3;2*1H2;/i/hD
InChIKeyWURQSJBJRUASBP-DYCDLGHISA-N
MW191.97 g/mol
LogP-2.33
Rot. Bonds

About CID 174589079

CID 174589079 (PubChem CID 174589079) has the molecular formula C2H9NO6Ti and a molecular weight of 191.97 g/mol.

Molecular Properties

Compound NameCID 174589079
PubChem CID174589079
Molecular FormulaC2H9NO6Ti
Molecular Weight191.97 g/mol
Exact Mass192.00
IUPAC Name—
SMILESN.O.O=C(O)C(=O)O.[2H]O.[Ti]
InChIInChI=1S/C2H2O4.H3N.2H2O.Ti/c3-1(4)2(5)6;;;;/h(H,3,4)(H,5,6);1H3;2*1H2;/i/hD
InChIKeyWURQSJBJRUASBP-DYCDLGHISA-N
XLogP-2.33
TPSA172.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.97
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze CID 174589079 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

azane;oxalic acid;dihydrate
CID 173006602
azane;oxalic acid;oxotitanium;hydrate
CID 45051728
azane;iron;oxalic acid
CID 87090690
cerium;oxalic acid;decahydrate
CID 175012984
oxalic acid;zirconium;hydrate
CID 91886498
oxalic acid;zinc;hydrate
CID 71311498
oxalic acid;yttrium;tetrahydrate
CID 173039711
oxalic acid;tantalum;hydrate
CID 174144106
azane;carbonic acid;oxalic acid
CID 174837249
CID 170845858
CID 170845858
strontium;hydride;oxalic acid;titanium
CID 173257716
tetrapotassium;hydride;oxalic acid;dihydrate
CID 175013375

Frequently Asked Questions

What is the IUPAC name of CID 174589079?
The IUPAC name of CID 174589079 (CID 174589079) is not available.
What is the SMILES notation for CID 174589079?
The canonical SMILES for CID 174589079 is N.O.O=C(O)C(=O)O.[2H]O.[Ti].
What is the InChIKey of CID 174589079?
The InChIKey is WURQSJBJRUASBP-DYCDLGHISA-N. The full InChI is InChI=1S/C2H2O4.H3N.2H2O.Ti/c3-1(4)2(5)6;;;;/h(H,3,4)(H,5,6);1H3;2*1H2;/i/hD.
What are the key properties of CID 174589079?
CID 174589079 has a molecular weight of 191.97 g/mol, XLogP of -2.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174589079 is sourced from PubChem (CID 174589079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).