CID 53446764

C12H10Na — CID 53446764

IUPAC—
SMILES[Na].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-10H;
InChIKeyAEBYJSOWHQYRPK-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.97
Rot. Bonds1

About CID 53446764

CID 53446764 (PubChem CID 53446764) has the molecular formula C12H10Na and a molecular weight of 177.20 g/mol.

Molecular Properties

Compound NameCID 53446764
PubChem CID53446764
Molecular FormulaC12H10Na
Molecular Weight177.20 g/mol
Exact Mass177.07
IUPAC Name—
SMILES[Na].c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-10H;
InChIKeyAEBYJSOWHQYRPK-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 53446764?
The IUPAC name of CID 53446764 (CID 53446764) is not available.
What is the SMILES notation for CID 53446764?
The canonical SMILES for CID 53446764 is [Na].c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 53446764?
The InChIKey is AEBYJSOWHQYRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h1-10H;.
What are the key properties of CID 53446764?
CID 53446764 has a molecular weight of 177.20 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53446764 is sourced from PubChem (CID 53446764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).