Molecule

ID:61965

General Information

Structure

MolImage

Molecular Formula

C₆H₁₁NOS

Molecular Mass

145.22264

Exact Mass

145.05613498

Charge

0

InChI

InChI=1S/C6H11NOS/c1-2-8-5-3-4-7-6-9/h2-5H2,1H3

InChIKey

SJVDIGVFWQSKFN-UHFFFAOYSA-N

Canonic Smiles

CCOCCCN=C=S

Isomeric Smiles

C(=S)=NCCCOCC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.4394423

LogD (pH = 7.4)

1.4394423

Log P

1.4394423

Molar Refractivity

41.9866

Polarizability

16.349562

Polar Surface Area

21.59

Rotatable Bonds

5

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity