CID 161001247

C12H12NaO — CID 161001247

IUPAC—
SMILESOc1ccccc1.[Na].c1ccccc1
InChIInChI=1S/C6H6O.C6H6.Na/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5,7H;1-6H;
InChIKeyTVXGZOBGLQFPNY-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.70
Rot. Bonds

About CID 161001247

CID 161001247 (PubChem CID 161001247) has the molecular formula C12H12NaO and a molecular weight of 195.22 g/mol.

Molecular Properties

Compound NameCID 161001247
PubChem CID161001247
Molecular FormulaC12H12NaO
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name—
SMILESOc1ccccc1.[Na].c1ccccc1
InChIInChI=1S/C6H6O.C6H6.Na/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5,7H;1-6H;
InChIKeyTVXGZOBGLQFPNY-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 161001247?
The IUPAC name of CID 161001247 (CID 161001247) is not available.
What is the SMILES notation for CID 161001247?
The canonical SMILES for CID 161001247 is Oc1ccccc1.[Na].c1ccccc1.
What is the InChIKey of CID 161001247?
The InChIKey is TVXGZOBGLQFPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C6H6.Na/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5,7H;1-6H;.
What are the key properties of CID 161001247?
CID 161001247 has a molecular weight of 195.22 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161001247 is sourced from PubChem (CID 161001247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).