Molecule
ID:81751
General Information
Molecular Formula
C₇H₁₁NS
Molecular Mass
141.23394
Exact Mass
141.06122036
Charge
0
InChI
InChI=1S/C7H11NS/c1-6-4-9-5-7(6)8(2)3/h4-5H,1-3H3
InChIKey
IDGVEFAPLSUSSK-UHFFFAOYSA-N
Canonic Smiles
CN(c1cscc1C)C
Isomeric Smiles
s1cc(c(c1)C)N(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.375152
LogD (pH = 7.4)
2.375153
Log P
2.375153
Molar Refractivity
42.6336
Polarizability
15.532069
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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