CID 67588186

C8H8N2NaO2 — CID 67588186

IUPAC—
SMILESNC(=O)c1ccccc1C(N)=O.[Na]
InChIInChI=1S/C8H8N2O2.Na/c9-7(11)5-3-1-2-4-6(5)8(10)12;/h1-4H,(H2,9,11)(H2,10,12);
InChIKeyULGKXYNXXWDVON-UHFFFAOYSA-N
MW187.15 g/mol
LogP-0.50
Rot. Bonds2

About CID 67588186

CID 67588186 (PubChem CID 67588186) has the molecular formula C8H8N2NaO2 and a molecular weight of 187.15 g/mol.

Molecular Properties

Compound NameCID 67588186
PubChem CID67588186
Molecular FormulaC8H8N2NaO2
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name—
SMILESNC(=O)c1ccccc1C(N)=O.[Na]
InChIInChI=1S/C8H8N2O2.Na/c9-7(11)5-3-1-2-4-6(5)8(10)12;/h1-4H,(H2,9,11)(H2,10,12);
InChIKeyULGKXYNXXWDVON-UHFFFAOYSA-N
XLogP-0.50
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 67588186?
The IUPAC name of CID 67588186 (CID 67588186) is not available.
What is the SMILES notation for CID 67588186?
The canonical SMILES for CID 67588186 is NC(=O)c1ccccc1C(N)=O.[Na].
What is the InChIKey of CID 67588186?
The InChIKey is ULGKXYNXXWDVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.Na/c9-7(11)5-3-1-2-4-6(5)8(10)12;/h1-4H,(H2,9,11)(H2,10,12);.
What are the key properties of CID 67588186?
CID 67588186 has a molecular weight of 187.15 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67588186 is sourced from PubChem (CID 67588186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).