CID 141280926

C6H6NSe — CID 141280926

IUPAC—
SMILESNc1cccc([Se])c1
InChIInChI=1S/C6H6NSe/c7-5-2-1-3-6(8)4-5/h1-4H,7H2
InChIKeyOXILFRVVZWFDDM-UHFFFAOYSA-N
MW171.08 g/mol
LogP0.06
Rot. Bonds

About CID 141280926

CID 141280926 (PubChem CID 141280926) has the molecular formula C6H6NSe and a molecular weight of 171.08 g/mol.

Molecular Properties

Compound NameCID 141280926
PubChem CID141280926
Molecular FormulaC6H6NSe
Molecular Weight171.08 g/mol
Exact Mass171.97
IUPAC Name—
SMILESNc1cccc([Se])c1
InChIInChI=1S/C6H6NSe/c7-5-2-1-3-6(8)4-5/h1-4H,7H2
InChIKeyOXILFRVVZWFDDM-UHFFFAOYSA-N
XLogP0.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.08
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diamine
CID 7935
benzene-1,3-diamine;hydron
CID 174403382
benzene-1,3-diamine;zinc
CID 175999138
benzene-1,3-diamine;hydrate
CID 133188498
benzene-1,3-diamine;hydron;dichloride
CID 74764421
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-methylaniline
CID 7934
CID 11782993
CID 11782993
3-methylaniline chloride
CID 23334103
benzene-1,3-diamine;perchloric acid
CID 71405376
(3-aminophenyl)azanium chloride
CID 139179659
3-phosphanylaniline;hydrate
CID 172853905

Frequently Asked Questions

What is the IUPAC name of CID 141280926?
The IUPAC name of CID 141280926 (CID 141280926) is not available.
What is the SMILES notation for CID 141280926?
The canonical SMILES for CID 141280926 is Nc1cccc([Se])c1.
What is the InChIKey of CID 141280926?
The InChIKey is OXILFRVVZWFDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NSe/c7-5-2-1-3-6(8)4-5/h1-4H,7H2.
What are the key properties of CID 141280926?
CID 141280926 has a molecular weight of 171.08 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 141280926 is sourced from PubChem (CID 141280926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).