Molecule

ID:118811

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClN₂S
Molecular Mass
274.76854
Exact Mass
274.03314704
Charge
0
InChI
InChI=1S/C14H11ClN2S/c1-8-3-5-10(6-4-8)11-9(2)18-14-12(11)13(15)16-7-17-14/h3-7H,1-2H3
InChIKey
ORWRJFJQHCJLLN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1c(C)sc2c1c(Cl)ncn2
Isomeric Smiles
c12c(c(c(s1)C)c1ccc(cc1)C)c(ncn2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.92395
LogD (pH = 7.4)
4.9239516
Log P
4.9239516
Molar Refractivity
77.1148
Polarizability
30.4805
Polar Surface Area
25.78
Rotatable Bonds
1
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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