CID 23527684

H4N48 — CID 23527684

IUPAC—
SMILESN/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N
InChIInChI=1S/H4N48/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H2,1,4,5,8,9,12,13,16,17,20,21,24,25,28,29,32,33,36,37,40,41,44,45,48)(H2,2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31,34,35,38,39,42,43,46,47)
InChIKeyKOKXMCYCBYJCOK-UHFFFAOYSA-N
MW676.37 g/mol
LogP7.26
Rot. Bonds22

About CID 23527684

CID 23527684 (PubChem CID 23527684) has the molecular formula H4N48 and a molecular weight of 676.37 g/mol.

Molecular Properties

Compound NameCID 23527684
PubChem CID23527684
Molecular FormulaH4N48
Molecular Weight676.37 g/mol
Exact Mass676.18
IUPAC Name—
SMILESN/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N
InChIInChI=1S/H4N48/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H2,1,4,5,8,9,12,13,16,17,20,21,24,25,28,29,32,33,36,37,40,41,44,45,48)(H2,2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31,34,35,38,39,42,43,46,47)
InChIKeyKOKXMCYCBYJCOK-UHFFFAOYSA-N
XLogP7.26
TPSA620.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.37
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 23527684?
The IUPAC name of CID 23527684 (CID 23527684) is not available.
What is the SMILES notation for CID 23527684?
The canonical SMILES for CID 23527684 is N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N.
What is the InChIKey of CID 23527684?
The InChIKey is KOKXMCYCBYJCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N48/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H2,1,4,5,8,9,12,13,16,17,20,21,24,25,28,29,32,33,36,37,40,41,44,45,48)(H2,2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31,34,35,38,39,42,43,46,47).
What are the key properties of CID 23527684?
CID 23527684 has a molecular weight of 676.37 g/mol, XLogP of 7.26, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23527684 is sourced from PubChem (CID 23527684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).