CID 160763675

C6H13ArBN2P — CID 160763675

IUPAC—
SMILESC.Nc1ccccn1.P.[Ar].[B]
InChIInChI=1S/C5H6N2.CH4.Ar.B.H3P/c6-5-3-1-2-4-7-5;;;;/h1-4H,(H2,6,7);1H4;;;1H3
InChIKeyQYBCNEKTFAQHJB-UHFFFAOYSA-N
MW194.92 g/mol
LogP0.98
Rot. Bonds

About CID 160763675

CID 160763675 (PubChem CID 160763675) has the molecular formula C6H13ArBN2P and a molecular weight of 194.92 g/mol.

Molecular Properties

Compound NameCID 160763675
PubChem CID160763675
Molecular FormulaC6H13ArBN2P
Molecular Weight194.92 g/mol
Exact Mass195.05
IUPAC Name—
SMILESC.Nc1ccccn1.P.[Ar].[B]
InChIInChI=1S/C5H6N2.CH4.Ar.B.H3P/c6-5-3-1-2-4-7-5;;;;/h1-4H,(H2,6,7);1H4;;;1H3
InChIKeyQYBCNEKTFAQHJB-UHFFFAOYSA-N
XLogP0.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.92
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 66677785
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CID 145008383
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Frequently Asked Questions

What is the IUPAC name of CID 160763675?
The IUPAC name of CID 160763675 (CID 160763675) is not available.
What is the SMILES notation for CID 160763675?
The canonical SMILES for CID 160763675 is C.Nc1ccccn1.P.[Ar].[B].
What is the InChIKey of CID 160763675?
The InChIKey is QYBCNEKTFAQHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.CH4.Ar.B.H3P/c6-5-3-1-2-4-7-5;;;;/h1-4H,(H2,6,7);1H4;;;1H3.
What are the key properties of CID 160763675?
CID 160763675 has a molecular weight of 194.92 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160763675 is sourced from PubChem (CID 160763675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).