CID 66964934

C16H14NaO3 — CID 66964934

IUPAC—
SMILESCC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.[Na]
InChIInChI=1S/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);
InChIKeyDPAWCKAUNQMBJU-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.72
Rot. Bonds4

About CID 66964934

CID 66964934 (PubChem CID 66964934) has the molecular formula C16H14NaO3 and a molecular weight of 277.27 g/mol.

Molecular Properties

Compound NameCID 66964934
PubChem CID66964934
Molecular FormulaC16H14NaO3
Molecular Weight277.27 g/mol
Exact Mass277.08
IUPAC Name—
SMILESCC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.[Na]
InChIInChI=1S/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);
InChIKeyDPAWCKAUNQMBJU-UHFFFAOYSA-N
XLogP2.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
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 66964934?
The IUPAC name of CID 66964934 (CID 66964934) is not available.
What is the SMILES notation for CID 66964934?
The canonical SMILES for CID 66964934 is CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.[Na].
What is the InChIKey of CID 66964934?
The InChIKey is DPAWCKAUNQMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);.
What are the key properties of CID 66964934?
CID 66964934 has a molecular weight of 277.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66964934 is sourced from PubChem (CID 66964934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).