Molecule

ID:85632

General Information
Structure
MolImage
Molecular Formula
C₇H₇NS
Molecular Mass
137.20218
Exact Mass
137.02992023
Charge
0
InChI
InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKey
QIOZLISABUUKJY-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1ccccc1
Isomeric Smiles
S=C(c1ccccc1)N
Calculated Properties
JChem
Acid pKa
12.663506
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.7137557
LogD (pH = 7.4)
1.7137578
Log P
1.7137557
Molar Refractivity
43.1273
Polarizability
16.574827
Polar Surface Area
26.02
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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