Molecule

ID:14769

General Information
Structure
Molecular Formula
C₁₁H₁₈ClNOS
Molecular Mass
247.78472
Exact Mass
247.07976288
Charge
0
InChI
InChI=1S/C11H17NOS.ClH/c1-9-4-6-14-11(9)8-12-7-10-3-2-5-13-10;/h4,6,10,12H,2-3,5,7-8H2,1H3;1H
InChIKey
OMSLBVNVZHFVCU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccsc1CNCC1CCCO1.Cl
Isomeric Smiles
c1c(c(sc1)CNCC1CCCO1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.69716823
LogD (pH = 7.4)
0.7123235
Log P
2.3764865
Molar Refractivity
59.4918
Polarizability
23.271873
Polar Surface Area
21.26
Rotatable Bonds
4
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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