CID 160859415

H4ClNNaO — CID 160859415

IUPAC—
SMILESCl.NO.[Na]
InChIInChI=1S/ClH.H3NO.Na/c;1-2;/h1H;2H,1H2;
InChIKeySKHAJHKYZRKLMP-UHFFFAOYSA-N
MW92.48 g/mol
LogP-0.62
Rot. Bonds

About CID 160859415

CID 160859415 (PubChem CID 160859415) has the molecular formula H4ClNNaO and a molecular weight of 92.48 g/mol.

Molecular Properties

Compound NameCID 160859415
PubChem CID160859415
Molecular FormulaH4ClNNaO
Molecular Weight92.48 g/mol
Exact Mass91.99
IUPAC Name—
SMILESCl.NO.[Na]
InChIInChI=1S/ClH.H3NO.Na/c;1-2;/h1H;2H,1H2;
InChIKeySKHAJHKYZRKLMP-UHFFFAOYSA-N
XLogP-0.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.48
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 160859415 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 160859415?
The IUPAC name of CID 160859415 (CID 160859415) is not available.
What is the SMILES notation for CID 160859415?
The canonical SMILES for CID 160859415 is Cl.NO.[Na].
What is the InChIKey of CID 160859415?
The InChIKey is SKHAJHKYZRKLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.H3NO.Na/c;1-2;/h1H;2H,1H2;.
What are the key properties of CID 160859415?
CID 160859415 has a molecular weight of 92.48 g/mol, XLogP of -0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160859415 is sourced from PubChem (CID 160859415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).