Molecule

ID:62351

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅ClN₂O₂S
Molecular Mass
368.9213
Exact Mass
368.13252673
Charge
0
InChI
InChI=1S/C18H24N2O2S.ClH/c21-11-10-20-18(22)17-15(12-13-6-2-1-5-9-19-13)14-7-3-4-8-16(14)23-17;/h3-4,7-8,13,19,21H,1-2,5-6,9-12H2,(H,20,22);1H
InChIKey
IXFHAIOZPSGBDS-UHFFFAOYSA-N
Canonic Smiles
OCCNC(=O)c1sc2c(c1CC1CCCCCN1)cccc2.Cl
Isomeric Smiles
c1(c(c2c(s1)cccc2)CC1NCCCCC1)C(=O)NCCO.Cl
Calculated Properties
JChem
Acid pKa
14.836897
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.6487063
LogD (pH = 7.4)
0.090919346
Log P
2.5676363
Molar Refractivity
93.8658
Polarizability
37.250355
Polar Surface Area
61.36
Rotatable Bonds
5
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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