Molecule

ID:52007

General Information

Structure

Molecular Formula

C₉H₁₇NS

Molecular Mass

171.30298

Exact Mass

171.10817055

Charge

0

InChI

InChI=1S/C9H17NS/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3

InChIKey

KUGHMFIBHMZICO-UHFFFAOYSA-N

Canonic Smiles

S=C=NC(CC(C)(C)C)(C)C

Isomeric Smiles

CC(C)(C)CC(C)(C)N=C=S

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.677767

LogD (pH = 7.4)

3.677767

Log P

3.677767

Molar Refractivity

53.2834

Polarizability

21.221178

Polar Surface Area

12.36

Rotatable Bonds

3

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