CID 123244422

C18H11B — CID 123244422

IUPAC—
SMILES[B]c1cccc2cc3ccc4ccccc4c3cc12
InChIInChI=1S/C18H11B/c19-18-7-3-5-13-10-14-9-8-12-4-1-2-6-15(12)16(14)11-17(13)18/h1-11H
InChIKeyBXBMSJBKPYJUDJ-UHFFFAOYSA-N
MW238.10 g/mol
LogP3.94
Rot. Bonds

About CID 123244422

CID 123244422 (PubChem CID 123244422) has the molecular formula C18H11B and a molecular weight of 238.10 g/mol.

Molecular Properties

Compound NameCID 123244422
PubChem CID123244422
Molecular FormulaC18H11B
Molecular Weight238.10 g/mol
Exact Mass238.10
IUPAC Name—
SMILES[B]c1cccc2cc3ccc4ccccc4c3cc12
InChIInChI=1S/C18H11B/c19-18-7-3-5-13-10-14-9-8-12-4-1-2-6-15(12)16(14)11-17(13)18/h1-11H
InChIKeyBXBMSJBKPYJUDJ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 123244422?
The IUPAC name of CID 123244422 (CID 123244422) is not available.
What is the SMILES notation for CID 123244422?
The canonical SMILES for CID 123244422 is [B]c1cccc2cc3ccc4ccccc4c3cc12.
What is the InChIKey of CID 123244422?
The InChIKey is BXBMSJBKPYJUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11B/c19-18-7-3-5-13-10-14-9-8-12-4-1-2-6-15(12)16(14)11-17(13)18/h1-11H.
What are the key properties of CID 123244422?
CID 123244422 has a molecular weight of 238.10 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123244422 is sourced from PubChem (CID 123244422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).