CID 131863122

C16H12N2Na2O2 — CID 131863122

IUPAC—
SMILESOc1c(-c2[nH]c3ccccc3c2O)[nH]c2ccccc12.[Na].[Na]
InChIInChI=1S/C16H12N2O2.2Na/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14;;/h1-8,17-20H;;
InChIKeyPOWDRPGIQAQPDR-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.97
Rot. Bonds1

About CID 131863122

CID 131863122 (PubChem CID 131863122) has the molecular formula C16H12N2Na2O2 and a molecular weight of 310.26 g/mol.

Molecular Properties

Compound NameCID 131863122
PubChem CID131863122
Molecular FormulaC16H12N2Na2O2
Molecular Weight310.26 g/mol
Exact Mass310.07
IUPAC Name—
SMILESOc1c(-c2[nH]c3ccccc3c2O)[nH]c2ccccc12.[Na].[Na]
InChIInChI=1S/C16H12N2O2.2Na/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14;;/h1-8,17-20H;;
InChIKeyPOWDRPGIQAQPDR-UHFFFAOYSA-N
XLogP2.97
TPSA72.04 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 131863122?
The IUPAC name of CID 131863122 (CID 131863122) is not available.
What is the SMILES notation for CID 131863122?
The canonical SMILES for CID 131863122 is Oc1c(-c2[nH]c3ccccc3c2O)[nH]c2ccccc12.[Na].[Na].
What is the InChIKey of CID 131863122?
The InChIKey is POWDRPGIQAQPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2.2Na/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14;;/h1-8,17-20H;;.
What are the key properties of CID 131863122?
CID 131863122 has a molecular weight of 310.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131863122 is sourced from PubChem (CID 131863122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).