benzoic acid;λ2-plumbane

C14H14O4Pb — CID 174927932

IUPACbenzoic acid;λ2-plumbane
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.[PbH2]
InChIInChI=1S/2C7H6O2.Pb.2H/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;;
InChIKeyMSFBJDJBSPOHSL-UHFFFAOYSA-N
MW453.46 g/mol
LogP1.85
Rot. Bonds2

About benzoic acid;λ2-plumbane

benzoic acid;λ2-plumbane (PubChem CID 174927932) has the molecular formula C14H14O4Pb and a molecular weight of 453.46 g/mol. Its IUPAC name is benzoic acid;λ2-plumbane.

Molecular Properties

Compound Namebenzoic acid;λ2-plumbane
PubChem CID174927932
Molecular FormulaC14H14O4Pb
Molecular Weight453.46 g/mol
Exact Mass454.07
IUPAC Namebenzoic acid;λ2-plumbane
SMILESO=C(O)c1ccccc1.O=C(O)c1ccccc1.[PbH2]
InChIInChI=1S/2C7H6O2.Pb.2H/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;;
InChIKeyMSFBJDJBSPOHSL-UHFFFAOYSA-N
XLogP1.85
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;λ2-plumbane?
The IUPAC name of benzoic acid;λ2-plumbane (CID 174927932) is benzoic acid;λ2-plumbane.
What is the SMILES notation for benzoic acid;λ2-plumbane?
The canonical SMILES for benzoic acid;λ2-plumbane is O=C(O)c1ccccc1.O=C(O)c1ccccc1.[PbH2].
What is the InChIKey of benzoic acid;λ2-plumbane?
The InChIKey is MSFBJDJBSPOHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2.Pb.2H/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;;.
What are the key properties of benzoic acid;λ2-plumbane?
benzoic acid;λ2-plumbane has a molecular weight of 453.46 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;λ2-plumbane is sourced from PubChem (CID 174927932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).