Orotic acid, gallium salt (3:2), hemihydrate

C5H3FGaN2O4 — CID 54604023

IUPAC—
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1F.[Ga]
InChIInChI=1S/C5H3FN2O4.Ga/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);
InChIKeyMVZFSDXEGHKFCR-UHFFFAOYSA-N
MW243.81 g/mol
LogP-1.48
Rot. Bonds1

About Orotic acid, gallium salt (3:2), hemihydrate

Orotic acid, gallium salt (3:2), hemihydrate (PubChem CID 54604023) has the molecular formula C5H3FGaN2O4 and a molecular weight of 243.81 g/mol.

Molecular Properties

Compound NameOrotic acid, gallium salt (3:2), hemihydrate
PubChem CID54604023
Molecular FormulaC5H3FGaN2O4
Molecular Weight243.81 g/mol
Exact Mass242.93
IUPAC Name—
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1F.[Ga]
InChIInChI=1S/C5H3FN2O4.Ga/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);
InChIKeyMVZFSDXEGHKFCR-UHFFFAOYSA-N
XLogP-1.48
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.81
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze Orotic acid, gallium salt (3:2), hemihydrate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Orotic acid, gallium salt (3:2), hemihydrate?
The IUPAC name of Orotic acid, gallium salt (3:2), hemihydrate (CID 54604023) is not available.
What is the SMILES notation for Orotic acid, gallium salt (3:2), hemihydrate?
The canonical SMILES for Orotic acid, gallium salt (3:2), hemihydrate is O=C(O)c1[nH]c(=O)[nH]c(=O)c1F.[Ga].
What is the InChIKey of Orotic acid, gallium salt (3:2), hemihydrate?
The InChIKey is MVZFSDXEGHKFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O4.Ga/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);.
What are the key properties of Orotic acid, gallium salt (3:2), hemihydrate?
Orotic acid, gallium salt (3:2), hemihydrate has a molecular weight of 243.81 g/mol, XLogP of -1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Orotic acid, gallium salt (3:2), hemihydrate is sourced from PubChem (CID 54604023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).