CID 159774237

C14H9LiNO2 — CID 159774237

IUPAC—
SMILESO=Nc1c(O)c2ccccc2c2ccccc12.[Li]
InChIInChI=1S/C14H9NO2.Li/c16-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(14)15-17;/h1-8,16H;
InChIKeyREUODQXPLFAMLV-UHFFFAOYSA-N
MW230.17 g/mol
LogP3.72
Rot. Bonds1

About CID 159774237

CID 159774237 (PubChem CID 159774237) has the molecular formula C14H9LiNO2 and a molecular weight of 230.17 g/mol.

Molecular Properties

Compound NameCID 159774237
PubChem CID159774237
Molecular FormulaC14H9LiNO2
Molecular Weight230.17 g/mol
Exact Mass230.08
IUPAC Name—
SMILESO=Nc1c(O)c2ccccc2c2ccccc12.[Li]
InChIInChI=1S/C14H9NO2.Li/c16-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(14)15-17;/h1-8,16H;
InChIKeyREUODQXPLFAMLV-UHFFFAOYSA-N
XLogP3.72
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159774237?
The IUPAC name of CID 159774237 (CID 159774237) is not available.
What is the SMILES notation for CID 159774237?
The canonical SMILES for CID 159774237 is O=Nc1c(O)c2ccccc2c2ccccc12.[Li].
What is the InChIKey of CID 159774237?
The InChIKey is REUODQXPLFAMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.Li/c16-14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(14)15-17;/h1-8,16H;.
What are the key properties of CID 159774237?
CID 159774237 has a molecular weight of 230.17 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159774237 is sourced from PubChem (CID 159774237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).