Molecule

ID:51377

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNS
Molecular Mass
269.8333
Exact Mass
269.10049833
Charge
0
InChI
InChI=1S/C14H19NS.ClH/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-14;/h1-5,13,15H,6-11H2;1H
InChIKey
OSEQWRQHWXGSSD-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1CCC2(CC1)NCCS2.Cl
Isomeric Smiles
C12(NCCS1)CCC(CC2)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.31993812
LogD (pH = 7.4)
1.755363
Log P
3.3797405
Molar Refractivity
71.0515
Polarizability
28.160563
Polar Surface Area
12.03
Rotatable Bonds
1
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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