CID 174580034

C6H4NO3Sn — CID 174580034

IUPAC—
SMILESO=[N+]([O-])c1ccccc1O[Sn]
InChIInChI=1S/C6H5NO3.Sn/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1
InChIKeyWLTLARHDGJRWQH-UHFFFAOYSA-M
MW256.81 g/mol
LogP1.06
Rot. Bonds2

About CID 174580034

CID 174580034 (PubChem CID 174580034) has the molecular formula C6H4NO3Sn and a molecular weight of 256.81 g/mol.

Molecular Properties

Compound NameCID 174580034
PubChem CID174580034
Molecular FormulaC6H4NO3Sn
Molecular Weight256.81 g/mol
Exact Mass257.92
IUPAC Name—
SMILESO=[N+]([O-])c1ccccc1O[Sn]
InChIInChI=1S/C6H5NO3.Sn/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1
InChIKeyWLTLARHDGJRWQH-UHFFFAOYSA-M
XLogP1.06
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.81
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 134977485
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Frequently Asked Questions

What is the IUPAC name of CID 174580034?
The IUPAC name of CID 174580034 (CID 174580034) is not available.
What is the SMILES notation for CID 174580034?
The canonical SMILES for CID 174580034 is O=[N+]([O-])c1ccccc1O[Sn].
What is the InChIKey of CID 174580034?
The InChIKey is WLTLARHDGJRWQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO3.Sn/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H;/q;+1/p-1.
What are the key properties of CID 174580034?
CID 174580034 has a molecular weight of 256.81 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174580034 is sourced from PubChem (CID 174580034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).