CID 139238345

C22H28AgBrN4 — CID 139238345

IUPAC—
SMILESCCN1[C]N(CC)c2ccccc21.CCN1[C]N(CC)c2ccccc21.[Ag+].[Br-]
InChIInChI=1S/2C11H14N2.Ag.BrH/c2*1-3-12-9-13(4-2)11-8-6-5-7-10(11)12;;/h2*5-8H,3-4H2,1-2H3;;1H/q;;+1;/p-1
InChIKeyFGCMAQMMAWPAGT-UHFFFAOYSA-M
MW536.27 g/mol
LogP1.70
Rot. Bonds4

About CID 139238345

CID 139238345 (PubChem CID 139238345) has the molecular formula C22H28AgBrN4 and a molecular weight of 536.27 g/mol.

Molecular Properties

Compound NameCID 139238345
PubChem CID139238345
Molecular FormulaC22H28AgBrN4
Molecular Weight536.27 g/mol
Exact Mass534.05
IUPAC Name—
SMILESCCN1[C]N(CC)c2ccccc21.CCN1[C]N(CC)c2ccccc21.[Ag+].[Br-]
InChIInChI=1S/2C11H14N2.Ag.BrH/c2*1-3-12-9-13(4-2)11-8-6-5-7-10(11)12;;/h2*5-8H,3-4H2,1-2H3;;1H/q;;+1;/p-1
InChIKeyFGCMAQMMAWPAGT-UHFFFAOYSA-M
XLogP1.70
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 139238345 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 139238345?
The IUPAC name of CID 139238345 (CID 139238345) is not available.
What is the SMILES notation for CID 139238345?
The canonical SMILES for CID 139238345 is CCN1[C]N(CC)c2ccccc21.CCN1[C]N(CC)c2ccccc21.[Ag+].[Br-].
What is the InChIKey of CID 139238345?
The InChIKey is FGCMAQMMAWPAGT-UHFFFAOYSA-M. The full InChI is InChI=1S/2C11H14N2.Ag.BrH/c2*1-3-12-9-13(4-2)11-8-6-5-7-10(11)12;;/h2*5-8H,3-4H2,1-2H3;;1H/q;;+1;/p-1.
What are the key properties of CID 139238345?
CID 139238345 has a molecular weight of 536.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139238345 is sourced from PubChem (CID 139238345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).