CID 173357830

C10H6Cl2KN2O3 — CID 173357830

IUPAC—
SMILESO=C(NO)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1.[K]
InChIInChI=1S/C10H6Cl2N2O3.K/c11-4-1-5(12)9-6(2-4)13-7(3-8(9)15)10(16)14-17;/h1-3,17H,(H,13,15)(H,14,16);
InChIKeyUBBIZNOGOFBSHW-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.57
Rot. Bonds1

About CID 173357830

CID 173357830 (PubChem CID 173357830) has the molecular formula C10H6Cl2KN2O3 and a molecular weight of 312.17 g/mol.

Molecular Properties

Compound NameCID 173357830
PubChem CID173357830
Molecular FormulaC10H6Cl2KN2O3
Molecular Weight312.17 g/mol
Exact Mass310.94
IUPAC Name—
SMILESO=C(NO)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1.[K]
InChIInChI=1S/C10H6Cl2N2O3.K/c11-4-1-5(12)9-6(2-4)13-7(3-8(9)15)10(16)14-17;/h1-3,17H,(H,13,15)(H,14,16);
InChIKeyUBBIZNOGOFBSHW-UHFFFAOYSA-N
XLogP1.57
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173357830?
The IUPAC name of CID 173357830 (CID 173357830) is not available.
What is the SMILES notation for CID 173357830?
The canonical SMILES for CID 173357830 is O=C(NO)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1.[K].
What is the InChIKey of CID 173357830?
The InChIKey is UBBIZNOGOFBSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O3.K/c11-4-1-5(12)9-6(2-4)13-7(3-8(9)15)10(16)14-17;/h1-3,17H,(H,13,15)(H,14,16);.
What are the key properties of CID 173357830?
CID 173357830 has a molecular weight of 312.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173357830 is sourced from PubChem (CID 173357830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).