CID 173122445

C15H12N2NaO2 — CID 173122445

IUPAC—
SMILESCn1c(=O)c(=NO)c2ccccc2c2ccccc21.[Na]
InChIInChI=1S/C15H12N2O2.Na/c1-17-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16-19)15(17)18;/h2-9,19H,1H3;
InChIKeyAWSQTZJEPNSJRB-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.60
Rot. Bonds

About CID 173122445

CID 173122445 (PubChem CID 173122445) has the molecular formula C15H12N2NaO2 and a molecular weight of 275.26 g/mol.

Molecular Properties

Compound NameCID 173122445
PubChem CID173122445
Molecular FormulaC15H12N2NaO2
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name—
SMILESCn1c(=O)c(=NO)c2ccccc2c2ccccc21.[Na]
InChIInChI=1S/C15H12N2O2.Na/c1-17-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16-19)15(17)18;/h2-9,19H,1H3;
InChIKeyAWSQTZJEPNSJRB-UHFFFAOYSA-N
XLogP1.60
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173122445?
The IUPAC name of CID 173122445 (CID 173122445) is not available.
What is the SMILES notation for CID 173122445?
The canonical SMILES for CID 173122445 is Cn1c(=O)c(=NO)c2ccccc2c2ccccc21.[Na].
What is the InChIKey of CID 173122445?
The InChIKey is AWSQTZJEPNSJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.Na/c1-17-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16-19)15(17)18;/h2-9,19H,1H3;.
What are the key properties of CID 173122445?
CID 173122445 has a molecular weight of 275.26 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173122445 is sourced from PubChem (CID 173122445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).