azulene;boric acid

C10H20B4O12 — CID 175218967

IUPACazulene;boric acid
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccc2cccc-2cc1
InChIInChI=1S/C10H8.4BH3O3/c1-2-5-9-7-4-8-10(9)6-3-1;4*2-1(3)4/h1-8H;4*2-4H
InChIKeyGUGYIBRNBMFKQQ-UHFFFAOYSA-N
MW375.51 g/mol
LogP-5.42
Rot. Bonds

About azulene;boric acid

azulene;boric acid (PubChem CID 175218967) has the molecular formula C10H20B4O12 and a molecular weight of 375.51 g/mol. Its IUPAC name is azulene;boric acid.

Molecular Properties

Compound Nameazulene;boric acid
PubChem CID175218967
Molecular FormulaC10H20B4O12
Molecular Weight375.51 g/mol
Exact Mass376.13
IUPAC Nameazulene;boric acid
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccc2cccc-2cc1
InChIInChI=1S/C10H8.4BH3O3/c1-2-5-9-7-4-8-10(9)6-3-1;4*2-1(3)4/h1-8H;4*2-4H
InChIKeyGUGYIBRNBMFKQQ-UHFFFAOYSA-N
XLogP-5.42
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500375.51
LogP ≤ 5-5.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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CID 174363765
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CID 162140615
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Frequently Asked Questions

What is the IUPAC name of azulene;boric acid?
The IUPAC name of azulene;boric acid (CID 175218967) is azulene;boric acid.
What is the SMILES notation for azulene;boric acid?
The canonical SMILES for azulene;boric acid is OB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccc2cccc-2cc1.
What is the InChIKey of azulene;boric acid?
The InChIKey is GUGYIBRNBMFKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.4BH3O3/c1-2-5-9-7-4-8-10(9)6-3-1;4*2-1(3)4/h1-8H;4*2-4H.
What are the key properties of azulene;boric acid?
azulene;boric acid has a molecular weight of 375.51 g/mol, XLogP of -5.42, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azulene;boric acid is sourced from PubChem (CID 175218967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).