3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine hydrochloride|3-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride|3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-am...

General Information

Structure

Molecular Formula

C₁₁H₁₃Cl₂N₃O

Molecular Mass

274.14642

Exact Mass

273.04356741

Charge

InChI

InChI=1S/C11H12ClN3O.ClH/c12-9-5-3-8(4-6-9)11-14-10(16-15-11)2-1-7-13;/h3-6H,1-2,7,13H2;1H

InChIKey

JILKZXWLRMLACG-UHFFFAOYSA-N

Canonic Smiles

NCCCc1onc(n1)c1ccc(cc1)Cl.Cl

Isomeric Smiles

n1c(noc1CCCN)c1ccc(cc1)Cl.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.71614146

LogD (pH = 7.4)

-0.06263159

Log P

2.4767542

Molar Refractivity

74.1448

Polarizability

24.561396

Polar Surface Area

64.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine hydrochloride

Synonyms

3-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride

IUPAC name

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine hydrochloride

Names and Identifiers

Registration numbers

PubChem CID

71308043

PubChem SID

162215408

Registration numbers

Properties

Product Information

Salt Data

HCl

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121055