Molecule
ID:52535
General Information
Molecular Formula
C₁₄H₁₁NS
Molecular Mass
225.30884
Exact Mass
225.06122036
Charge
0
InChI
InChI=1S/C14H11NS/c16-11-15-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9H,10H2
InChIKey
GRVOXMXDKJRDHJ-UHFFFAOYSA-N
Canonic Smiles
S=C=NCc1ccccc1c1ccccc1
Isomeric Smiles
C(c1c(cccc1)c1ccccc1)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4413486
LogD (pH = 7.4)
4.4413486
Log P
4.4413486
Molar Refractivity
71.0779
Polarizability
29.024477
Polar Surface Area
12.36
Rotatable Bonds
3
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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