CID 67026980

C8H9KNO3 — CID 67026980

IUPAC—
SMILESCOc1cc(C(=O)O)ncc1C.[K]
InChIInChI=1S/C8H9NO3.K/c1-5-4-9-6(8(10)11)3-7(5)12-2;/h3-4H,1-2H3,(H,10,11);
InChIKeyKOMYBYULCXBJJP-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.72
Rot. Bonds2

About CID 67026980

CID 67026980 (PubChem CID 67026980) has the molecular formula C8H9KNO3 and a molecular weight of 206.26 g/mol.

Molecular Properties

Compound NameCID 67026980
PubChem CID67026980
Molecular FormulaC8H9KNO3
Molecular Weight206.26 g/mol
Exact Mass206.02
IUPAC Name—
SMILESCOc1cc(C(=O)O)ncc1C.[K]
InChIInChI=1S/C8H9NO3.K/c1-5-4-9-6(8(10)11)3-7(5)12-2;/h3-4H,1-2H3,(H,10,11);
InChIKeyKOMYBYULCXBJJP-UHFFFAOYSA-N
XLogP0.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 67026980?
The IUPAC name of CID 67026980 (CID 67026980) is not available.
What is the SMILES notation for CID 67026980?
The canonical SMILES for CID 67026980 is COc1cc(C(=O)O)ncc1C.[K].
What is the InChIKey of CID 67026980?
The InChIKey is KOMYBYULCXBJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.K/c1-5-4-9-6(8(10)11)3-7(5)12-2;/h3-4H,1-2H3,(H,10,11);.
What are the key properties of CID 67026980?
CID 67026980 has a molecular weight of 206.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67026980 is sourced from PubChem (CID 67026980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).