Molecule

ID:54756

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉ClN₂S
Molecular Mass
306.85346
Exact Mass
306.0957473
Charge
0
InChI
InChI=1S/C16H18N2S.ClH/c1-17(2)11-12-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18;/h3-10H,11-12H2,1-2H3;1H
InChIKey
CKIPCLCBYTWUEZ-UHFFFAOYSA-N
Canonic Smiles
CN(CCN1c2ccccc2Sc2c1cccc2)C.Cl
Isomeric Smiles
N1(c2c(Sc3c1cccc3)cccc2)CCN(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8080294
LogD (pH = 7.4)
2.4961324
Log P
3.8709958
Molar Refractivity
84.0861
Polarizability
32.307716
Polar Surface Area
6.48
Rotatable Bonds
3
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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