Molecule

ID:77941

General Information
Structure
Molecular Formula
C₇H₁₁NOS
Molecular Mass
157.23334
Exact Mass
157.05613498
Charge
0
InChI
InChI=1S/C7H11NOS/c1-8-5-7-6(9-2)3-4-10-7/h3-4,8H,5H2,1-2H3
InChIKey
HDALHOAZSOWZLX-UHFFFAOYSA-N
Canonic Smiles
CNCc1sccc1OC
Isomeric Smiles
s1c(c(cc1)OC)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6462059
LogD (pH = 7.4)
-0.053703982
Log P
1.2868048
Molar Refractivity
42.6591
Polarizability
16.701164
Polar Surface Area
21.26
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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