anthracene;ozone

C14H10O3 — CID 159778509

IUPACanthracene;ozone
SMILESO=[O+][O-].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.O3/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-2/h1-10H;
InChIKeyNHAZFMLHTPYYEW-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.87
Rot. Bonds

About anthracene;ozone

anthracene;ozone (PubChem CID 159778509) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is anthracene;ozone.

Molecular Properties

Compound Nameanthracene;ozone
PubChem CID159778509
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Nameanthracene;ozone
SMILESO=[O+][O-].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.O3/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-2/h1-10H;
InChIKeyNHAZFMLHTPYYEW-UHFFFAOYSA-N
XLogP2.87
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 54171203
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CID 158474185
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CID 141245639
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CID 173035649
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Frequently Asked Questions

What is the IUPAC name of anthracene;ozone?
The IUPAC name of anthracene;ozone (CID 159778509) is anthracene;ozone.
What is the SMILES notation for anthracene;ozone?
The canonical SMILES for anthracene;ozone is O=[O+][O-].c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;ozone?
The InChIKey is NHAZFMLHTPYYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.O3/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-2/h1-10H;.
What are the key properties of anthracene;ozone?
anthracene;ozone has a molecular weight of 226.23 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;ozone is sourced from PubChem (CID 159778509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).