Molecule

ID:62391

General Information
Structure
Molecular Formula
C₁₅H₂₄ClN₃OS
Molecular Mass
329.88856
Exact Mass
329.13286108
Charge
0
InChI
InChI=1S/C15H23N3OS.ClH/c1-11-14(20-10-17-11)15(19)18-9-3-2-4-13(18)12-5-7-16-8-6-12;/h10,12-13,16H,2-9H2,1H3;1H
InChIKey
WTQATZGYHFGWOL-UHFFFAOYSA-N
Canonic Smiles
Cc1ncsc1C(=O)N1CCCCC1C1CCNCC1.Cl
Isomeric Smiles
c1(C(=O)N2C(C3CCNCC3)CCCC2)c(ncs1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.012906
LogD (pH = 7.4)
-1.3445821
Log P
1.2083328
Molar Refractivity
81.3004
Polarizability
31.209616
Polar Surface Area
45.23
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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