CID 154382204

N3O6S- — CID 154382204

IUPAC—
SMILESO=[N+]([O-])N([N+](=O)[O-])S(=O)[O-]
InChIInChI=1S/HN3O6S/c4-2(5)1(3(6)7)10(8)9/h(H,8,9)/p-1
InChIKeyZDNAOKZQXRKQOO-UHFFFAOYSA-M
MW170.08 g/mol
LogP-1.53
Rot. Bonds3

About CID 154382204

CID 154382204 (PubChem CID 154382204) has the molecular formula N3O6S- and a molecular weight of 170.08 g/mol.

Molecular Properties

Compound NameCID 154382204
PubChem CID154382204
Molecular FormulaN3O6S-
Molecular Weight170.08 g/mol
Exact Mass169.95
IUPAC Name—
SMILESO=[N+]([O-])N([N+](=O)[O-])S(=O)[O-]
InChIInChI=1S/HN3O6S/c4-2(5)1(3(6)7)10(8)9/h(H,8,9)/p-1
InChIKeyZDNAOKZQXRKQOO-UHFFFAOYSA-M
XLogP-1.53
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 154382204 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

copper;sodium;nitrate;sulfite
CID 174495170
sodium;hydrogen sulfite;nitric acid
CID 161187114
oxostibanylium nitrate
CID 162305947
(N-nitroanilino) sulfite
CID 57077920
CID 149250481
CID 149250481
CID 149433419
CID 149433419
hydrogen peroxide;nitric acid
CID 22590704
CID 59919457
CID 59919457
N-(nitrodiazenyl)sulfinyliminonitramide
CID 154432874
1,1-diaminoethanesulfinate
CID 90404877
silver;sodium;benzenesulfinate;nitrate
CID 160704596
azanium;cerium;hydrogen peroxide;nitrate
CID 172815710

Frequently Asked Questions

What is the IUPAC name of CID 154382204?
The IUPAC name of CID 154382204 (CID 154382204) is not available.
What is the SMILES notation for CID 154382204?
The canonical SMILES for CID 154382204 is O=[N+]([O-])N([N+](=O)[O-])S(=O)[O-].
What is the InChIKey of CID 154382204?
The InChIKey is ZDNAOKZQXRKQOO-UHFFFAOYSA-M. The full InChI is InChI=1S/HN3O6S/c4-2(5)1(3(6)7)10(8)9/h(H,8,9)/p-1.
What are the key properties of CID 154382204?
CID 154382204 has a molecular weight of 170.08 g/mol, XLogP of -1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154382204 is sourced from PubChem (CID 154382204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).