CID 172812912

H8Cl4N4 — CID 172812912

IUPAC—
SMILESNCl.NCl.NCl.NCl
InChIInChI=1S/4ClH2N/c4*1-2/h4*2H2
InChIKeySKSDNHDMDIZIDY-UHFFFAOYSA-N
MW205.90 g/mol
LogP0.40
Rot. Bonds

About CID 172812912

CID 172812912 (PubChem CID 172812912) has the molecular formula H8Cl4N4 and a molecular weight of 205.90 g/mol.

Molecular Properties

Compound NameCID 172812912
PubChem CID172812912
Molecular FormulaH8Cl4N4
Molecular Weight205.90 g/mol
Exact Mass203.95
IUPAC Name—
SMILESNCl.NCl.NCl.NCl
InChIInChI=1S/4ClH2N/c4*1-2/h4*2H2
InChIKeySKSDNHDMDIZIDY-UHFFFAOYSA-N
XLogP0.40
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.90
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172812912?
The IUPAC name of CID 172812912 (CID 172812912) is not available.
What is the SMILES notation for CID 172812912?
The canonical SMILES for CID 172812912 is NCl.NCl.NCl.NCl.
What is the InChIKey of CID 172812912?
The InChIKey is SKSDNHDMDIZIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/4ClH2N/c4*1-2/h4*2H2.
What are the key properties of CID 172812912?
CID 172812912 has a molecular weight of 205.90 g/mol, XLogP of 0.40, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172812912 is sourced from PubChem (CID 172812912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).