CID 174024798

C11H8BNS — CID 174024798

IUPAC—
SMILES[B]c1cncc(Sc2ccccc2)c1
InChIInChI=1S/C11H8BNS/c12-9-6-11(8-13-7-9)14-10-4-2-1-3-5-10/h1-8H
InChIKeyLNIVKMBFHWVBLG-UHFFFAOYSA-N
MW197.07 g/mol
LogP2.03
Rot. Bonds2

About CID 174024798

CID 174024798 (PubChem CID 174024798) has the molecular formula C11H8BNS and a molecular weight of 197.07 g/mol.

Molecular Properties

Compound NameCID 174024798
PubChem CID174024798
Molecular FormulaC11H8BNS
Molecular Weight197.07 g/mol
Exact Mass197.05
IUPAC Name—
SMILES[B]c1cncc(Sc2ccccc2)c1
InChIInChI=1S/C11H8BNS/c12-9-6-11(8-13-7-9)14-10-4-2-1-3-5-10/h1-8H
InChIKeyLNIVKMBFHWVBLG-UHFFFAOYSA-N
XLogP2.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.07
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174024798?
The IUPAC name of CID 174024798 (CID 174024798) is not available.
What is the SMILES notation for CID 174024798?
The canonical SMILES for CID 174024798 is [B]c1cncc(Sc2ccccc2)c1.
What is the InChIKey of CID 174024798?
The InChIKey is LNIVKMBFHWVBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BNS/c12-9-6-11(8-13-7-9)14-10-4-2-1-3-5-10/h1-8H.
What are the key properties of CID 174024798?
CID 174024798 has a molecular weight of 197.07 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174024798 is sourced from PubChem (CID 174024798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).