CID 172710006

C6H5NNaO — CID 172710006

IUPAC—
SMILESO=c1cccccn1.[Na]
InChIInChI=1S/C6H5NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H;
InChIKeyFCSWKPBQMNTOSQ-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.06
Rot. Bonds

About CID 172710006

CID 172710006 (PubChem CID 172710006) has the molecular formula C6H5NNaO and a molecular weight of 130.10 g/mol.

Molecular Properties

Compound NameCID 172710006
PubChem CID172710006
Molecular FormulaC6H5NNaO
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name—
SMILESO=c1cccccn1.[Na]
InChIInChI=1S/C6H5NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H;
InChIKeyFCSWKPBQMNTOSQ-UHFFFAOYSA-N
XLogP0.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 172710006?
The IUPAC name of CID 172710006 (CID 172710006) is not available.
What is the SMILES notation for CID 172710006?
The canonical SMILES for CID 172710006 is O=c1cccccn1.[Na].
What is the InChIKey of CID 172710006?
The InChIKey is FCSWKPBQMNTOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.Na/c8-6-4-2-1-3-5-7-6;/h1-5H;.
What are the key properties of CID 172710006?
CID 172710006 has a molecular weight of 130.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172710006 is sourced from PubChem (CID 172710006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).