CID 23392730

C11H11BN — CID 23392730

IUPAC—
SMILES[B](c1ccccc1)N1C=CC=CC1
InChIInChI=1S/C11H11BN/c1-3-7-11(8-4-1)12-13-9-5-2-6-10-13/h1-9H,10H2
InChIKeyHKHMOUAVQSRWQP-UHFFFAOYSA-N
MW168.03 g/mol
LogP1.32
Rot. Bonds2

About CID 23392730

CID 23392730 (PubChem CID 23392730) has the molecular formula C11H11BN and a molecular weight of 168.03 g/mol.

Molecular Properties

Compound NameCID 23392730
PubChem CID23392730
Molecular FormulaC11H11BN
Molecular Weight168.03 g/mol
Exact Mass168.10
IUPAC Name—
SMILES[B](c1ccccc1)N1C=CC=CC1
InChIInChI=1S/C11H11BN/c1-3-7-11(8-4-1)12-13-9-5-2-6-10-13/h1-9H,10H2
InChIKeyHKHMOUAVQSRWQP-UHFFFAOYSA-N
XLogP1.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.03
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 23392730?
The IUPAC name of CID 23392730 (CID 23392730) is not available.
What is the SMILES notation for CID 23392730?
The canonical SMILES for CID 23392730 is [B](c1ccccc1)N1C=CC=CC1.
What is the InChIKey of CID 23392730?
The InChIKey is HKHMOUAVQSRWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BN/c1-3-7-11(8-4-1)12-13-9-5-2-6-10-13/h1-9H,10H2.
What are the key properties of CID 23392730?
CID 23392730 has a molecular weight of 168.03 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23392730 is sourced from PubChem (CID 23392730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).