Molecule

ID:35212

General Information

Structure

MolImage

Molecular Formula

C₆H₁₂N₂S

Molecular Mass

144.23788

Exact Mass

144.07211939

Charge

0

InChI

InChI=1S/C6H12N2S/c1-8(2)5-3-4-7-6-9/h3-5H2,1-2H3

InChIKey

LDXHWJITNCSIJC-UHFFFAOYSA-N

Canonic Smiles

S=C=NCCCN(C)C

Isomeric Smiles

C(=S)=NCCCN(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-2.2504616

LogD (pH = 7.4)

-1.0097938

Log P

1.1482543

Molar Refractivity

44.2136

Polarizability

17.200945

Polar Surface Area

15.6

Rotatable Bonds

4

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