dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride

H12Ca2ClNO5S — CID 174417210

IUPACdicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride
SMILESCl.N.O.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ca.ClH.H3N.H2O4S.H2O.4H/c;;;;1-5(2,3)4;;;;;/h;;1H;1H3;(H2,1,2,3,4);1H2;;;;/q2*+2;;;;;4*-1
InChIKeyOMPZVSPGUVZWMO-UHFFFAOYSA-N
MW253.77 g/mol
LogP-1.21
Rot. Bonds

About dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride

dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride (PubChem CID 174417210) has the molecular formula H12Ca2ClNO5S and a molecular weight of 253.77 g/mol. Its IUPAC name is dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride.

Molecular Properties

Compound Namedicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride
PubChem CID174417210
Molecular FormulaH12Ca2ClNO5S
Molecular Weight253.77 g/mol
Exact Mass252.94
IUPAC Namedicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride
SMILESCl.N.O.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ca.ClH.H3N.H2O4S.H2O.4H/c;;;;1-5(2,3)4;;;;;/h;;1H;1H3;(H2,1,2,3,4);1H2;;;;/q2*+2;;;;;4*-1
InChIKeyOMPZVSPGUVZWMO-UHFFFAOYSA-N
XLogP-1.21
TPSA141.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride 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

dicalcium;hydride;sulfuric acid;hydrochloride
CID 173127277
dicalcium;hydride;sulfuric acid;dihydrate
CID 173090602
dicalcium;hydride;sulfuric acid;pentahydrate
CID 173205930
calcium;hydride;sulfuric acid;hydrochloride
CID 173159750
dicalcium;hydride;sulfuric acid;hydrate
CID 173153468
calcium;hydride;iron;sulfuric acid;hydrochloride
CID 173427945
tricalcium;alumane;hydride;sulfuric acid;hydrate
CID 175130797
azane;sulfuric acid;hexahydrate
CID 173404062
azane;sulfuric acid;dihydrochloride
CID 173220026
magnesium;strontium;hydride;sulfuric acid;hydrate;hydrochloride
CID 174856256
azane;barium(2+);hydride;sulfuric acid
CID 173256426
lithium;sodium;hydride;sulfuric acid;dihydrate
CID 174867340

Frequently Asked Questions

What is the IUPAC name of dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride?
The IUPAC name of dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride (CID 174417210) is dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride.
What is the SMILES notation for dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride?
The canonical SMILES for dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride is Cl.N.O.O=S(=O)(O)O.[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride?
The InChIKey is OMPZVSPGUVZWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.ClH.H3N.H2O4S.H2O.4H/c;;;;1-5(2,3)4;;;;;/h;;1H;1H3;(H2,1,2,3,4);1H2;;;;/q2*+2;;;;;4*-1.
What are the key properties of dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride?
dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of -1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride is sourced from PubChem (CID 174417210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).