Molecule
ID:44330
General Information
Molecular Formula
C₉H₁₀FNS
Molecular Mass
183.2458032
Exact Mass
183.05179855
Charge
0
InChI
InChI=1S/C9H10FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9,11H,5-6H2
InChIKey
SPVFGDPOEAQORJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1NCCS1
Isomeric Smiles
C1(NCCS1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.144757E-5
LogD (pH = 7.4)
1.7056566
Log P
2.23298
Molar Refractivity
49.6579
Polarizability
19.36423
Polar Surface Area
12.03
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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