CID 57352211

C17H13NNaO2 — CID 57352211

IUPAC—
SMILESO=C1C=C(c2ccccc2)C=C(c2ccccc2)[NH+]1[O-].[Na]
InChIInChI=1S/C17H13NO2.Na/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14;/h1-12,18H;
InChIKeyKNNKVBJOHOJJTJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.65
Rot. Bonds2

About CID 57352211

CID 57352211 (PubChem CID 57352211) has the molecular formula C17H13NNaO2 and a molecular weight of 286.29 g/mol.

Molecular Properties

Compound NameCID 57352211
PubChem CID57352211
Molecular FormulaC17H13NNaO2
Molecular Weight286.29 g/mol
Exact Mass286.08
IUPAC Name—
SMILESO=C1C=C(c2ccccc2)C=C(c2ccccc2)[NH+]1[O-].[Na]
InChIInChI=1S/C17H13NO2.Na/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14;/h1-12,18H;
InChIKeyKNNKVBJOHOJJTJ-UHFFFAOYSA-N
XLogP1.65
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 57352211?
The IUPAC name of CID 57352211 (CID 57352211) is not available.
What is the SMILES notation for CID 57352211?
The canonical SMILES for CID 57352211 is O=C1C=C(c2ccccc2)C=C(c2ccccc2)[NH+]1[O-].[Na].
What is the InChIKey of CID 57352211?
The InChIKey is KNNKVBJOHOJJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2.Na/c19-17-12-15(13-7-3-1-4-8-13)11-16(18(17)20)14-9-5-2-6-10-14;/h1-12,18H;.
What are the key properties of CID 57352211?
CID 57352211 has a molecular weight of 286.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57352211 is sourced from PubChem (CID 57352211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).