N-[(3E)-7-chloro-1H,2H,4H-cyclopenta[b]indol-3-ylidene]hydroxylamine|N-[(3E)-7-chloro-1H,2H,3H,4H-cyclopenta[b]indol-3-ylidene]hydroxylamine|(E)-7-chloro-1,2-dihydrocyclopenta[b]indol-3(4H)-one oxime

General Information

Structure

Molecular Formula

C₁₁H₉ClN₂O

Molecular Mass

220.65496

Exact Mass

220.0403406

Charge

InChI

InChI=1S/C11H9ClN2O/c12-6-1-3-9-8(5-6)7-2-4-10(14-15)11(7)13-9/h1,3,5,13,15H,2,4H2/b14-10+

InChIKey

SEQUKMZNYSQIRO-GXDHUFHOSA-N

Canonic Smiles

O/N=C/1\CCc2c1[nH]c1c2cc(cc1)Cl

Isomeric Smiles

c12c(c3c([nH]1)ccc(c3)Cl)CC/C/2=N\O

Calculated Properties

JChem

Acid pKa

11.786942

H Acceptors

H Donor

LogD (pH = 5.5)

2.4687805

LogD (pH = 7.4)

2.468825

Log P

2.4688437

Molar Refractivity

59.3162

Polarizability

23.518053

Polar Surface Area

48.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

N-[(3E)-7-chloro-1H,2H,4H-cyclopenta[b]indol-3-ylidene]hydroxylamine

IUPAC name

N-[(3E)-7-chloro-1H,2H,3H,4H-cyclopenta[b]indol-3-ylidene]hydroxylamine

Synonyms

(E)-7-chloro-1,2-dihydrocyclopenta[b]indol-3(4H)-one oxime

Names and Identifiers

Registration numbers

PubChem SID

162219057

PubChem CID

51052058

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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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:124704