Molecule

ID:77297

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NOS
Molecular Mass
145.22264
Exact Mass
145.05613498
Charge
0
InChI
InChI=1S/C6H11NOS/c1-4(2)5-3-8-6(9)7-5/h4-5H,3H2,1-2H3,(H,7,9)/t5-/m0/s1
InChIKey
CIRDXQWBLPPFPN-YFKPBYRVSA-N
Canonic Smiles
CC([C@@H]1COC(=S)N1)C
Isomeric Smiles
N1[C@H](C(C)C)COC1=S
Calculated Properties
JChem
Acid pKa
8.698133
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.8348501
LogD (pH = 7.4)
1.8162519
Log P
1.8350937
Molar Refractivity
40.4225
Polarizability
16.331398
Polar Surface Area
21.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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