Molecule

ID:62346

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅ClN₂OS
Molecular Mass
352.9219
Exact Mass
352.13761211
Charge
0
InChI
InChI=1S/C18H24N2OS.ClH/c1-20(2)18(21)17-15(12-13-8-4-3-7-11-19-13)14-9-5-6-10-16(14)22-17;/h5-6,9-10,13,19H,3-4,7-8,11-12H2,1-2H3;1H
InChIKey
VLCLAQCKENZTGY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1sc2c(c1CC1CCCCCN1)cccc2)N(C)C.Cl
Isomeric Smiles
c1(c(c2c(s1)cccc2)CC1NCCCCC1)C(=O)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26511472
LogD (pH = 7.4)
1.0053154
Log P
3.4814143
Molar Refractivity
92.4702
Polarizability
36.64515
Polar Surface Area
32.34
Rotatable Bonds
3
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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