CID 88515342

C13H14BN — CID 88515342

IUPAC—
SMILESN.[B]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11B.H3N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;1H3
InChIKeyIETIGCOCAHTUEJ-UHFFFAOYSA-N
MW195.07 g/mol
LogP3.11
Rot. Bonds2

About CID 88515342

CID 88515342 (PubChem CID 88515342) has the molecular formula C13H14BN and a molecular weight of 195.07 g/mol.

Molecular Properties

Compound NameCID 88515342
PubChem CID88515342
Molecular FormulaC13H14BN
Molecular Weight195.07 g/mol
Exact Mass195.12
IUPAC Name—
SMILESN.[B]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11B.H3N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;1H3
InChIKeyIETIGCOCAHTUEJ-UHFFFAOYSA-N
XLogP3.11
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 53.11
H-Bond Donors ≤ 51
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 88515342?
The IUPAC name of CID 88515342 (CID 88515342) is not available.
What is the SMILES notation for CID 88515342?
The canonical SMILES for CID 88515342 is N.[B]C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 88515342?
The InChIKey is IETIGCOCAHTUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11B.H3N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;1H3.
What are the key properties of CID 88515342?
CID 88515342 has a molecular weight of 195.07 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88515342 is sourced from PubChem (CID 88515342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).