CID 174916499

H2BNbO4P — CID 174916499

IUPAC—
SMILES[B]OP(=O)(O)O.[Nb]
InChIInChI=1S/BH2O4P.Nb/c1-5-6(2,3)4;/h(H2,2,3,4);
InChIKeyYIXYBOFYCRPRHJ-UHFFFAOYSA-N
MW200.70 g/mol
LogP-0.82
Rot. Bonds1

About CID 174916499

CID 174916499 (PubChem CID 174916499) has the molecular formula H2BNbO4P and a molecular weight of 200.70 g/mol.

Molecular Properties

Compound NameCID 174916499
PubChem CID174916499
Molecular FormulaH2BNbO4P
Molecular Weight200.70 g/mol
Exact Mass200.88
IUPAC Name—
SMILES[B]OP(=O)(O)O.[Nb]
InChIInChI=1S/BH2O4P.Nb/c1-5-6(2,3)4;/h(H2,2,3,4);
InChIKeyYIXYBOFYCRPRHJ-UHFFFAOYSA-N
XLogP-0.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.70
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 174916499 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

CID 174829679
CID 174829679
CID 175204732
CID 175204732
phosphono dihydrogen phosphate;tellane
CID 174550958
hafnium;phosphono dihydrogen phosphate
CID 173013366
hydroxy dihydrogen phosphate;vanadium
CID 173088443
phosphono dihydrogen phosphate;silver
CID 131872547
dialuminum;phosphono dihydrogen phosphate
CID 175801807
iodo dihydrogen phosphate;silver
CID 173343017
azane;hydron;phosphono dihydrogen phosphate
CID 173267420
fluoro dihydrogen phosphate;platinum
CID 174846501
alumane;phosphanyl dihydrogen phosphate
CID 173370493
CID 174371087
CID 174371087

Frequently Asked Questions

What is the IUPAC name of CID 174916499?
The IUPAC name of CID 174916499 (CID 174916499) is not available.
What is the SMILES notation for CID 174916499?
The canonical SMILES for CID 174916499 is [B]OP(=O)(O)O.[Nb].
What is the InChIKey of CID 174916499?
The InChIKey is YIXYBOFYCRPRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2O4P.Nb/c1-5-6(2,3)4;/h(H2,2,3,4);.
What are the key properties of CID 174916499?
CID 174916499 has a molecular weight of 200.70 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174916499 is sourced from PubChem (CID 174916499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).