CID 87277719

C6H3N3O7Sr — CID 87277719

IUPAC—
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.[Sr]
InChIInChI=1S/C6H3N3O7.Sr/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;
InChIKeyGVEAANIBBASQHG-UHFFFAOYSA-N
MW316.72 g/mol
LogP0.74
Rot. Bonds3

About CID 87277719

CID 87277719 (PubChem CID 87277719) has the molecular formula C6H3N3O7Sr and a molecular weight of 316.72 g/mol.

Molecular Properties

Compound NameCID 87277719
PubChem CID87277719
Molecular FormulaC6H3N3O7Sr
Molecular Weight316.72 g/mol
Exact Mass316.90
IUPAC Name—
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.[Sr]
InChIInChI=1S/C6H3N3O7.Sr/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;
InChIKeyGVEAANIBBASQHG-UHFFFAOYSA-N
XLogP0.74
TPSA149.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 173341172
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CID 45157719
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1,8-diazabicyclo[6.4.3]pentadecane;2,4,6-trinitrophenol
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Frequently Asked Questions

What is the IUPAC name of CID 87277719?
The IUPAC name of CID 87277719 (CID 87277719) is not available.
What is the SMILES notation for CID 87277719?
The canonical SMILES for CID 87277719 is O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.[Sr].
What is the InChIKey of CID 87277719?
The InChIKey is GVEAANIBBASQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O7.Sr/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;.
What are the key properties of CID 87277719?
CID 87277719 has a molecular weight of 316.72 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87277719 is sourced from PubChem (CID 87277719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).