CID 70486296

C16H12N2NaO — CID 70486296

IUPAC—
SMILESO=c1[nH]ncc(-c2ccccc2)c1-c1ccccc1.[Na]
InChIInChI=1S/C16H12N2O.Na/c19-16-15(13-9-5-2-6-10-13)14(11-17-18-16)12-7-3-1-4-8-12;/h1-11H,(H,18,19);
InChIKeyWNFSTCWPZAZNLM-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.72
Rot. Bonds2

About CID 70486296

CID 70486296 (PubChem CID 70486296) has the molecular formula C16H12N2NaO and a molecular weight of 271.28 g/mol.

Molecular Properties

Compound NameCID 70486296
PubChem CID70486296
Molecular FormulaC16H12N2NaO
Molecular Weight271.28 g/mol
Exact Mass271.08
IUPAC Name—
SMILESO=c1[nH]ncc(-c2ccccc2)c1-c1ccccc1.[Na]
InChIInChI=1S/C16H12N2O.Na/c19-16-15(13-9-5-2-6-10-13)14(11-17-18-16)12-7-3-1-4-8-12;/h1-11H,(H,18,19);
InChIKeyWNFSTCWPZAZNLM-UHFFFAOYSA-N
XLogP2.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 70486296?
The IUPAC name of CID 70486296 (CID 70486296) is not available.
What is the SMILES notation for CID 70486296?
The canonical SMILES for CID 70486296 is O=c1[nH]ncc(-c2ccccc2)c1-c1ccccc1.[Na].
What is the InChIKey of CID 70486296?
The InChIKey is WNFSTCWPZAZNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O.Na/c19-16-15(13-9-5-2-6-10-13)14(11-17-18-16)12-7-3-1-4-8-12;/h1-11H,(H,18,19);.
What are the key properties of CID 70486296?
CID 70486296 has a molecular weight of 271.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70486296 is sourced from PubChem (CID 70486296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).