CID 87167956

C17H26AsN3 — CID 87167956

IUPAC—
SMILESCN(CC1CCCCC1)[C@@H]1CCN(c2ccnc([As])c2)C1
InChIInChI=1S/C17H26AsN3/c1-20(12-14-5-3-2-4-6-14)16-8-10-21(13-16)15-7-9-19-17(18)11-15/h7,9,11,14,16H,2-6,8,10,12-13H2,1H3/t16-/m1/s1
InChIKeyBYAFDNSLFHUALX-MRXNPFEDSA-N
MW347.34 g/mol
LogP1.97
Rot. Bonds4

About CID 87167956

CID 87167956 (PubChem CID 87167956) has the molecular formula C17H26AsN3 and a molecular weight of 347.34 g/mol.

Molecular Properties

Compound NameCID 87167956
PubChem CID87167956
Molecular FormulaC17H26AsN3
Molecular Weight347.34 g/mol
Exact Mass347.13
IUPAC Name—
SMILESCN(CC1CCCCC1)[C@@H]1CCN(c2ccnc([As])c2)C1
InChIInChI=1S/C17H26AsN3/c1-20(12-14-5-3-2-4-6-14)16-8-10-21(13-16)15-7-9-19-17(18)11-15/h7,9,11,14,16H,2-6,8,10,12-13H2,1H3/t16-/m1/s1
InChIKeyBYAFDNSLFHUALX-MRXNPFEDSA-N
XLogP1.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87167956?
The IUPAC name of CID 87167956 (CID 87167956) is not available.
What is the SMILES notation for CID 87167956?
The canonical SMILES for CID 87167956 is CN(CC1CCCCC1)[C@@H]1CCN(c2ccnc([As])c2)C1.
What is the InChIKey of CID 87167956?
The InChIKey is BYAFDNSLFHUALX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26AsN3/c1-20(12-14-5-3-2-4-6-14)16-8-10-21(13-16)15-7-9-19-17(18)11-15/h7,9,11,14,16H,2-6,8,10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of CID 87167956?
CID 87167956 has a molecular weight of 347.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87167956 is sourced from PubChem (CID 87167956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).