Molecule

ID:52006

General Information

Structure

MolImage

Molecular Formula

C₉H₁₇NS

Molecular Mass

171.30298

Exact Mass

171.10817055

Charge

0

InChI

InChI=1S/C9H17NS/c1-3-4-5-6-7-9(2)10-8-11/h9H,3-7H2,1-2H3

InChIKey

RXAAZXUXIQEORL-UHFFFAOYSA-N

Canonic Smiles

CCCCCCC(N=C=S)C

Isomeric Smiles

CC(CCCCCC)N=C=S

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.1438303

LogD (pH = 7.4)

4.1438303

Log P

4.1438303

Molar Refractivity

53.4245

Polarizability

21.221073

Polar Surface Area

12.36

Rotatable Bonds

6

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