CID 174813664

H7N5O4S2 — CID 174813664

IUPAC—
SMILESNN(NS(N)(=O)=O)S(N)(=O)=O
InChIInChI=1S/H7N5O4S2/c1-5(11(3,8)9)4-10(2,6)7/h4H,1H2,(H2,2,6,7)(H2,3,8,9)
InChIKeyDBZQYGWREAWPNI-UHFFFAOYSA-N
MW205.22 g/mol
LogP-3.93
Rot. Bonds3

About CID 174813664

CID 174813664 (PubChem CID 174813664) has the molecular formula H7N5O4S2 and a molecular weight of 205.22 g/mol.

Molecular Properties

Compound NameCID 174813664
PubChem CID174813664
Molecular FormulaH7N5O4S2
Molecular Weight205.22 g/mol
Exact Mass204.99
IUPAC Name—
SMILESNN(NS(N)(=O)=O)S(N)(=O)=O
InChIInChI=1S/H7N5O4S2/c1-5(11(3,8)9)4-10(2,6)7/h4H,1H2,(H2,2,6,7)(H2,3,8,9)
InChIKeyDBZQYGWREAWPNI-UHFFFAOYSA-N
XLogP-3.93
TPSA161.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-3.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174813664?
The IUPAC name of CID 174813664 (CID 174813664) is not available.
What is the SMILES notation for CID 174813664?
The canonical SMILES for CID 174813664 is NN(NS(N)(=O)=O)S(N)(=O)=O.
What is the InChIKey of CID 174813664?
The InChIKey is DBZQYGWREAWPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/H7N5O4S2/c1-5(11(3,8)9)4-10(2,6)7/h4H,1H2,(H2,2,6,7)(H2,3,8,9).
What are the key properties of CID 174813664?
CID 174813664 has a molecular weight of 205.22 g/mol, XLogP of -3.93, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174813664 is sourced from PubChem (CID 174813664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).