Molecule

ID:74487

General Information
Structure
MolImage
Molecular Formula
C₆H₇NS
Molecular Mass
125.19148
Exact Mass
125.02992023
Charge
0
InChI
InChI=1S/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChIKey
KFFUEVDMVNIOHA-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)S
Isomeric Smiles
Sc1cc(ccc1)N
Calculated Properties
JChem
Acid pKa
6.7211037
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.2380037
LogD (pH = 7.4)
0.58245397
Log P
1.237527
Molar Refractivity
38.7682
Polarizability
14.520651
Polar Surface Area
26.02
Rotatable Bonds
0
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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