Molecule

ID:65331

General Information
Structure
Molecular Formula
C₇H₁₆ClNS
Molecular Mass
181.72664
Exact Mass
181.0691982
Charge
0
InChI
InChI=1S/C7H15NS.ClH/c1-6(2)5(8)7(3,4)9-6;/h5H,8H2,1-4H3;1H
InChIKey
XASNLZPWRFCKRS-UHFFFAOYSA-N
Canonic Smiles
NC1C(C)(C)SC1(C)C.Cl
Isomeric Smiles
S1C(C(C1(C)C)N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.9215122
LogD (pH = 7.4)
-1.1898738
Log P
1.0864735
Molar Refractivity
42.9519
Polarizability
17.499228
Polar Surface Area
26.02
Rotatable Bonds
0
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
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