CID 25212690

C9H6BrClInS — CID 25212690

IUPAC—
SMILESClc1ccc2scc(C[In]Br)c2c1
InChIInChI=1S/C9H6ClS.BrH.In/c1-6-5-11-9-3-2-7(10)4-8(6)9;;/h2-5H,1H2;1H;/q;;+1/p-1
InChIKeyNEBSHDSOPDJKHM-UHFFFAOYSA-M
MW376.39 g/mol
LogP4.07
Rot. Bonds2

About CID 25212690

CID 25212690 (PubChem CID 25212690) has the molecular formula C9H6BrClInS and a molecular weight of 376.39 g/mol.

Molecular Properties

Compound NameCID 25212690
PubChem CID25212690
Molecular FormulaC9H6BrClInS
Molecular Weight376.39 g/mol
Exact Mass374.81
IUPAC Name—
SMILESClc1ccc2scc(C[In]Br)c2c1
InChIInChI=1S/C9H6ClS.BrH.In/c1-6-5-11-9-3-2-7(10)4-8(6)9;;/h2-5H,1H2;1H;/q;;+1/p-1
InChIKeyNEBSHDSOPDJKHM-UHFFFAOYSA-M
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 25212690?
The IUPAC name of CID 25212690 (CID 25212690) is not available.
What is the SMILES notation for CID 25212690?
The canonical SMILES for CID 25212690 is Clc1ccc2scc(C[In]Br)c2c1.
What is the InChIKey of CID 25212690?
The InChIKey is NEBSHDSOPDJKHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6ClS.BrH.In/c1-6-5-11-9-3-2-7(10)4-8(6)9;;/h2-5H,1H2;1H;/q;;+1/p-1.
What are the key properties of CID 25212690?
CID 25212690 has a molecular weight of 376.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25212690 is sourced from PubChem (CID 25212690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).