CID 18534456

C11H9B — CID 18534456

IUPAC—
SMILES[B]c1ccc(C)c2ccccc12
InChIInChI=1S/C11H9B/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKeyXEAXPKNTOHCZEN-UHFFFAOYSA-N
MW152.00 g/mol
LogP1.94
Rot. Bonds

About CID 18534456

CID 18534456 (PubChem CID 18534456) has the molecular formula C11H9B and a molecular weight of 152.00 g/mol.

Molecular Properties

Compound NameCID 18534456
PubChem CID18534456
Molecular FormulaC11H9B
Molecular Weight152.00 g/mol
Exact Mass152.08
IUPAC Name—
SMILES[B]c1ccc(C)c2ccccc12
InChIInChI=1S/C11H9B/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKeyXEAXPKNTOHCZEN-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.00
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 18534456?
The IUPAC name of CID 18534456 (CID 18534456) is not available.
What is the SMILES notation for CID 18534456?
The canonical SMILES for CID 18534456 is [B]c1ccc(C)c2ccccc12.
What is the InChIKey of CID 18534456?
The InChIKey is XEAXPKNTOHCZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9B/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3.
What are the key properties of CID 18534456?
CID 18534456 has a molecular weight of 152.00 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18534456 is sourced from PubChem (CID 18534456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).