nitric acid;dodecahydrate

H25NO15 — CID 172786901

IUPACnitric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])O
InChIInChI=1S/HNO3.12H2O/c2-1(3)4;;;;;;;;;;;;/h(H,2,3,4);12*1H2
InChIKeyPAFPELNTFJNPSL-UHFFFAOYSA-N
MW279.19 g/mol
LogP-10.24
Rot. Bonds

About nitric acid;dodecahydrate

nitric acid;dodecahydrate (PubChem CID 172786901) has the molecular formula H25NO15 and a molecular weight of 279.19 g/mol. Its IUPAC name is nitric acid;dodecahydrate.

Molecular Properties

Compound Namenitric acid;dodecahydrate
PubChem CID172786901
Molecular FormulaH25NO15
Molecular Weight279.19 g/mol
Exact Mass279.12
IUPAC Namenitric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])O
InChIInChI=1S/HNO3.12H2O/c2-1(3)4;;;;;;;;;;;;/h(H,2,3,4);12*1H2
InChIKeyPAFPELNTFJNPSL-UHFFFAOYSA-N
XLogP-10.24
TPSA441.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 5-10.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze nitric acid;dodecahydrate 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

tris(nitric acid);hexahydrate
CID 161328835
tris(nitric acid);ytterbium;pentahydrate
CID 131852866
bis(nitric acid);uranium;dihydrate
CID 170844297
bis(nitric acid);palladium(2+);hydrate
CID 169410102
bis(nitric acid);hydrate;hydrofluoride
CID 174552935
iron;nitric acid;nonahydrate
CID 161165031
nickel;nitric acid;heptahydrate
CID 173389970
nickel;nitric acid;nonahydrate
CID 173200755
gadolinium;tris(nitric acid);pentahydrate
CID 131880314
nitric acid;vanadium;dihydrate
CID 174936942
tris(nitric acid);yttrium;tetrahydrate
CID 131873138
CID 170924127
CID 170924127

Frequently Asked Questions

What is the IUPAC name of nitric acid;dodecahydrate?
The IUPAC name of nitric acid;dodecahydrate (CID 172786901) is nitric acid;dodecahydrate.
What is the SMILES notation for nitric acid;dodecahydrate?
The canonical SMILES for nitric acid;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])O.
What is the InChIKey of nitric acid;dodecahydrate?
The InChIKey is PAFPELNTFJNPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/HNO3.12H2O/c2-1(3)4;;;;;;;;;;;;/h(H,2,3,4);12*1H2.
What are the key properties of nitric acid;dodecahydrate?
nitric acid;dodecahydrate has a molecular weight of 279.19 g/mol, XLogP of -10.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;dodecahydrate is sourced from PubChem (CID 172786901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).