CID 174439431

C9H6NSn — CID 174439431

IUPAC—
SMILES[Sn]c1cnc2ccccc2c1
InChIInChI=1S/C9H6N.Sn/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-2,4-7H;
InChIKeyZRGHZISCHOYHAI-UHFFFAOYSA-N
MW246.87 g/mol
LogP1.03
Rot. Bonds

About CID 174439431

CID 174439431 (PubChem CID 174439431) has the molecular formula C9H6NSn and a molecular weight of 246.87 g/mol.

Molecular Properties

Compound NameCID 174439431
PubChem CID174439431
Molecular FormulaC9H6NSn
Molecular Weight246.87 g/mol
Exact Mass247.95
IUPAC Name—
SMILES[Sn]c1cnc2ccccc2c1
InChIInChI=1S/C9H6N.Sn/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-2,4-7H;
InChIKeyZRGHZISCHOYHAI-UHFFFAOYSA-N
XLogP1.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.87
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 174439431?
The IUPAC name of CID 174439431 (CID 174439431) is not available.
What is the SMILES notation for CID 174439431?
The canonical SMILES for CID 174439431 is [Sn]c1cnc2ccccc2c1.
What is the InChIKey of CID 174439431?
The InChIKey is ZRGHZISCHOYHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N.Sn/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-2,4-7H;.
What are the key properties of CID 174439431?
CID 174439431 has a molecular weight of 246.87 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174439431 is sourced from PubChem (CID 174439431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).