Molecule

ID:96396

General Information
Structure
Molecular Formula
C₁₀H₄ClFN₂S
Molecular Mass
238.6685632
Exact Mass
237.97677504
Charge
0
InChI
InChI=1S/C10H4ClFN2S/c11-10-8(5-13)9(15-14-10)6-2-1-3-7(12)4-6/h1-4H
InChIKey
AORMCPNVGQGESG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nsc1c1cccc(c1)F
Isomeric Smiles
s1c(c(c(n1)Cl)C#N)c1cc(ccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4098103
LogD (pH = 7.4)
3.4098108
Log P
3.4098108
Molar Refractivity
58.7234
Polarizability
22.570265
Polar Surface Area
36.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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