CID 11620727

C7H18N3O7PtSe+4 — CID 11620727

IUPAC—
SMILESN.N.O=NO.OCc1ccccc1O.O[Se](O)O.[Pt+4]
InChIInChI=1S/C7H8O2.HNO2.2H3N.H3O3Se.Pt/c8-5-6-3-1-2-4-7(6)9;2-1-3;;;1-4(2)3;/h1-4,8-9H,5H2;(H,2,3);2*1H3;1-3H;/q;;;;;+4
InChIKeyHGNRSJAYNPWWHD-UHFFFAOYSA-N
MW530.27 g/mol
LogP-0.70
Rot. Bonds1

About CID 11620727

CID 11620727 (PubChem CID 11620727) has the molecular formula C7H18N3O7PtSe+4 and a molecular weight of 530.27 g/mol.

Molecular Properties

Compound NameCID 11620727
PubChem CID11620727
Molecular FormulaC7H18N3O7PtSe+4
Molecular Weight530.27 g/mol
Exact Mass530.99
IUPAC Name—
SMILESN.N.O=NO.OCc1ccccc1O.O[Se](O)O.[Pt+4]
InChIInChI=1S/C7H8O2.HNO2.2H3N.H3O3Se.Pt/c8-5-6-3-1-2-4-7(6)9;2-1-3;;;1-4(2)3;/h1-4,8-9H,5H2;(H,2,3);2*1H3;1-3H;/q;;;;;+4
InChIKeyHGNRSJAYNPWWHD-UHFFFAOYSA-N
XLogP-0.70
TPSA220.81 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 11620727?
The IUPAC name of CID 11620727 (CID 11620727) is not available.
What is the SMILES notation for CID 11620727?
The canonical SMILES for CID 11620727 is N.N.O=NO.OCc1ccccc1O.O[Se](O)O.[Pt+4].
What is the InChIKey of CID 11620727?
The InChIKey is HGNRSJAYNPWWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.HNO2.2H3N.H3O3Se.Pt/c8-5-6-3-1-2-4-7(6)9;2-1-3;;;1-4(2)3;/h1-4,8-9H,5H2;(H,2,3);2*1H3;1-3H;/q;;;;;+4.
What are the key properties of CID 11620727?
CID 11620727 has a molecular weight of 530.27 g/mol, XLogP of -0.70, 1 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11620727 is sourced from PubChem (CID 11620727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).