CID 6376434

C18H16As — CID 6376434

IUPAC—
SMILESc1ccc([AsH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16As/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKeyCHDIAVCVFGIRMV-UHFFFAOYSA-N
MW307.25 g/mol
LogP1.94
Rot. Bonds3

About CID 6376434

CID 6376434 (PubChem CID 6376434) has the molecular formula C18H16As and a molecular weight of 307.25 g/mol.

Molecular Properties

Compound NameCID 6376434
PubChem CID6376434
Molecular FormulaC18H16As
Molecular Weight307.25 g/mol
Exact Mass307.05
IUPAC Name—
SMILESc1ccc([AsH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16As/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKeyCHDIAVCVFGIRMV-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 6376434?
The IUPAC name of CID 6376434 (CID 6376434) is not available.
What is the SMILES notation for CID 6376434?
The canonical SMILES for CID 6376434 is c1ccc([AsH](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 6376434?
The InChIKey is CHDIAVCVFGIRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16As/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H.
What are the key properties of CID 6376434?
CID 6376434 has a molecular weight of 307.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6376434 is sourced from PubChem (CID 6376434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).