Molecule

ID:136321

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂S
Molecular Mass
318.86416
Exact Mass
318.0957473
Charge
0
InChI
InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
ZPEIMTDSQAKGNT-UHFFFAOYSA-N
Canonic Smiles
CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C
Isomeric Smiles
CN(CCCN1c2ccccc2Sc2c1cc(cc2)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2476761
LogD (pH = 7.4)
2.739641
Log P
4.5350003
Molar Refractivity
93.7563
Polarizability
35.9708
Polar Surface Area
6.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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