Molecule

ID:85673

General Information
Structure
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Molecular Formula
C₇H₅NS
Molecular Mass
135.1863
Exact Mass
135.01427017
Charge
0
InChI
InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey
QKFJKGMPGYROCL-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccccc1
Isomeric Smiles
N(=C=S)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9950695
LogD (pH = 7.4)
2.995071
Log P
2.995071
Molar Refractivity
43.1209
Polarizability
16.062199
Polar Surface Area
12.36
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
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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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