CID 140520805

H4N70 — CID 140520805

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=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N
InChIInChI=1S/H4N70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H2,1,4,5,8,9,12,13,16,17,20,21,24,25,28,29,32,33,36,37,40,41,44,45,48,49,52,53,56,57,60,61,64,65,68,69)(H2,2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31,34,35,38,39,42,43,46,47,50,51,54,55,58,59,62,63,66,67,70)
InChIKeyNUNRVQPWXYRTDU-UHFFFAOYSA-N
MW984.52 g/mol
LogP11.30
Rot. Bonds33

About CID 140520805

CID 140520805 (PubChem CID 140520805) has the molecular formula H4N70 and a molecular weight of 984.52 g/mol.

Molecular Properties

Compound NameCID 140520805
PubChem CID140520805
Molecular FormulaH4N70
Molecular Weight984.52 g/mol
Exact Mass984.25
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=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N=N/N
InChIInChI=1S/H4N70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H2,1,4,5,8,9,12,13,16,17,20,21,24,25,28,29,32,33,36,37,40,41,44,45,48,49,52,53,56,57,60,61,64,65,68,69)(H2,2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31,34,35,38,39,42,43,46,47,50,51,54,55,58,59,62,63,66,67,70)
InChIKeyNUNRVQPWXYRTDU-UHFFFAOYSA-N
XLogP11.30
TPSA892.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.52
LogP ≤ 511.30
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'}

Analyze CID 140520805 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 140520805?
The IUPAC name of CID 140520805 (CID 140520805) is not available.
What is the SMILES notation for CID 140520805?
The canonical SMILES for CID 140520805 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=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 140520805?
The InChIKey is NUNRVQPWXYRTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h(H2,1,4,5,8,9,12,13,16,17,20,21,24,25,28,29,32,33,36,37,40,41,44,45,48,49,52,53,56,57,60,61,64,65,68,69)(H2,2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31,34,35,38,39,42,43,46,47,50,51,54,55,58,59,62,63,66,67,70).
What are the key properties of CID 140520805?
CID 140520805 has a molecular weight of 984.52 g/mol, XLogP of 11.30, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140520805 is sourced from PubChem (CID 140520805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).