CID 87656849

C15H18AsNO — CID 87656849

IUPAC—
SMILESO=C1c2c([As])cccc2CN1CC1CCCCC1
InChIInChI=1S/C15H18AsNO/c16-13-8-4-7-12-10-17(15(18)14(12)13)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2
InChIKeyUZZWJSZWBLKQDH-UHFFFAOYSA-N
MW303.24 g/mol
LogP2.02
Rot. Bonds2

About CID 87656849

CID 87656849 (PubChem CID 87656849) has the molecular formula C15H18AsNO and a molecular weight of 303.24 g/mol.

Molecular Properties

Compound NameCID 87656849
PubChem CID87656849
Molecular FormulaC15H18AsNO
Molecular Weight303.24 g/mol
Exact Mass303.06
IUPAC Name—
SMILESO=C1c2c([As])cccc2CN1CC1CCCCC1
InChIInChI=1S/C15H18AsNO/c16-13-8-4-7-12-10-17(15(18)14(12)13)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2
InChIKeyUZZWJSZWBLKQDH-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 87656849 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 87656849?
The IUPAC name of CID 87656849 (CID 87656849) is not available.
What is the SMILES notation for CID 87656849?
The canonical SMILES for CID 87656849 is O=C1c2c([As])cccc2CN1CC1CCCCC1.
What is the InChIKey of CID 87656849?
The InChIKey is UZZWJSZWBLKQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18AsNO/c16-13-8-4-7-12-10-17(15(18)14(12)13)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2.
What are the key properties of CID 87656849?
CID 87656849 has a molecular weight of 303.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87656849 is sourced from PubChem (CID 87656849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).