Molecule

ID:9710

General Information

Structure

MolImage

Molecular Formula

C₄H₆ClNS

Molecular Mass

135.61514

Exact Mass

134.99094788

Charge

0

InChI

InChI=1S/C4H6ClNS/c5-2-1-3-6-4-7/h1-3H2

InChIKey

ZGFOBQSQLJDLKV-UHFFFAOYSA-N

Canonic Smiles

ClCCCN=C=S

Isomeric Smiles

C(CCl)CN=C=S

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.7940997

LogD (pH = 7.4)

1.7940997

Log P

1.7940997

Molar Refractivity

35.5378

Polarizability

13.796015

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