CID 153359296

C7H7BFNS — CID 153359296

IUPAC—
SMILES[B]c1cc(SN)c(C)cc1F
InChIInChI=1S/C7H7BFNS/c1-4-2-6(9)5(8)3-7(4)11-10/h2-3H,10H2,1H3
InChIKeyKZTBFLVLBCJDEZ-UHFFFAOYSA-N
MW167.02 g/mol
LogP0.89
Rot. Bonds1

About CID 153359296

CID 153359296 (PubChem CID 153359296) has the molecular formula C7H7BFNS and a molecular weight of 167.02 g/mol.

Molecular Properties

Compound NameCID 153359296
PubChem CID153359296
Molecular FormulaC7H7BFNS
Molecular Weight167.02 g/mol
Exact Mass167.04
IUPAC Name—
SMILES[B]c1cc(SN)c(C)cc1F
InChIInChI=1S/C7H7BFNS/c1-4-2-6(9)5(8)3-7(4)11-10/h2-3H,10H2,1H3
InChIKeyKZTBFLVLBCJDEZ-UHFFFAOYSA-N
XLogP0.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.02
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 153359296?
The IUPAC name of CID 153359296 (CID 153359296) is not available.
What is the SMILES notation for CID 153359296?
The canonical SMILES for CID 153359296 is [B]c1cc(SN)c(C)cc1F.
What is the InChIKey of CID 153359296?
The InChIKey is KZTBFLVLBCJDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BFNS/c1-4-2-6(9)5(8)3-7(4)11-10/h2-3H,10H2,1H3.
What are the key properties of CID 153359296?
CID 153359296 has a molecular weight of 167.02 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153359296 is sourced from PubChem (CID 153359296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).