CID 71400244

C17H20AsO — CID 71400244

IUPAC—
SMILESCC[As]1(C(C)C)c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H20AsO/c1-4-18(13(2)3)14-9-5-7-11-16(14)19-17-12-8-6-10-15(17)18/h5-13H,4H2,1-3H3
InChIKeyAWYVKTYVAMVMHR-UHFFFAOYSA-N
MW315.27 g/mol
LogP3.79
Rot. Bonds2

About CID 71400244

CID 71400244 (PubChem CID 71400244) has the molecular formula C17H20AsO and a molecular weight of 315.27 g/mol.

Molecular Properties

Compound NameCID 71400244
PubChem CID71400244
Molecular FormulaC17H20AsO
Molecular Weight315.27 g/mol
Exact Mass315.07
IUPAC Name—
SMILESCC[As]1(C(C)C)c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H20AsO/c1-4-18(13(2)3)14-9-5-7-11-16(14)19-17-12-8-6-10-15(17)18/h5-13H,4H2,1-3H3
InChIKeyAWYVKTYVAMVMHR-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 71400244?
The IUPAC name of CID 71400244 (CID 71400244) is not available.
What is the SMILES notation for CID 71400244?
The canonical SMILES for CID 71400244 is CC[As]1(C(C)C)c2ccccc2Oc2ccccc21.
What is the InChIKey of CID 71400244?
The InChIKey is AWYVKTYVAMVMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20AsO/c1-4-18(13(2)3)14-9-5-7-11-16(14)19-17-12-8-6-10-15(17)18/h5-13H,4H2,1-3H3.
What are the key properties of CID 71400244?
CID 71400244 has a molecular weight of 315.27 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71400244 is sourced from PubChem (CID 71400244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).