Molecule

ID:23956

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃ClN₂O₂S
Molecular Mass
318.86262
Exact Mass
318.11687667
Charge
0
InChI
InChI=1S/C14H22N2O2S.ClH/c1-12-4-2-3-11-16(12)19(17,18)14-7-5-13(6-8-14)9-10-15;/h5-8,12H,2-4,9-11,15H2,1H3;1H
InChIKey
ZPWTYNKBOIYBIE-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)S(=O)(=O)N1CCCCC1C.Cl
Isomeric Smiles
N1(S(=O)(=O)c2ccc(cc2)CCN)C(CCCC1)C.Cl
Calculated Properties
Provided by Enamine
CLogP
2.34
H Donor
1
Polar Surface Area
63.40
Rotatable Bonds
3
JChem
Log P
1.71
LogD (pH = 7.4)
-0.13
LogD (pH = 5.5)
-1.25
Rotatable Bonds
3
H Donor
1
H Acceptors
3
Polar Surface Area
63.40
Molar Refractivity
77
Polarizability
31.54
Lipinski's Rule of Five
true
LOG S
-2.26
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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