CID 88962202

C10H11BClNO — CID 88962202

IUPAC—
SMILES[B]c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C10H11BClNO/c11-9-2-1-8(7-10(9)12)13-3-5-14-6-4-13/h1-2,7H,3-6H2
InChIKeySEJDCCCEORMSLG-UHFFFAOYSA-N
MW207.47 g/mol
LogP0.97
Rot. Bonds1

About CID 88962202

CID 88962202 (PubChem CID 88962202) has the molecular formula C10H11BClNO and a molecular weight of 207.47 g/mol.

Molecular Properties

Compound NameCID 88962202
PubChem CID88962202
Molecular FormulaC10H11BClNO
Molecular Weight207.47 g/mol
Exact Mass207.06
IUPAC Name—
SMILES[B]c1ccc(N2CCOCC2)cc1Cl
InChIInChI=1S/C10H11BClNO/c11-9-2-1-8(7-10(9)12)13-3-5-14-6-4-13/h1-2,7H,3-6H2
InChIKeySEJDCCCEORMSLG-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.47
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 88962202?
The IUPAC name of CID 88962202 (CID 88962202) is not available.
What is the SMILES notation for CID 88962202?
The canonical SMILES for CID 88962202 is [B]c1ccc(N2CCOCC2)cc1Cl.
What is the InChIKey of CID 88962202?
The InChIKey is SEJDCCCEORMSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BClNO/c11-9-2-1-8(7-10(9)12)13-3-5-14-6-4-13/h1-2,7H,3-6H2.
What are the key properties of CID 88962202?
CID 88962202 has a molecular weight of 207.47 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88962202 is sourced from PubChem (CID 88962202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).