Molecule

ID:117690

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClN₂S
Molecular Mass
286.77924
Exact Mass
286.03314704
Charge
0
InChI
InChI=1S/C15H11ClN2S/c16-12-6-4-10(5-7-12)15-18-14(9-19-15)11-2-1-3-13(17)8-11/h1-9H,17H2
InChIKey
BOKFRPNWEHSDBD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1scc(n1)c1cccc(c1)N
Isomeric Smiles
n1c(scc1c1cc(N)ccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.457824
LogD (pH = 7.4)
4.464912
Log P
4.4650035
Molar Refractivity
90.6374
Polarizability
32.35064
Polar Surface Area
38.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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