Molecule

ID:62181

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅ClN₂OS
Molecular Mass
376.9433
Exact Mass
376.13761211
Charge
0
InChI
InChI=1S/C20H24N2OS.ClH/c23-19(22-11-1-2-12-22)20(9-10-21-15-20)14-16-5-7-17(8-6-16)18-4-3-13-24-18;/h3-8,13,21H,1-2,9-12,14-15H2;1H
InChIKey
MFBSAAKSNHJHLQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1(CNCC1)Cc1ccc(cc1)c1cccs1)N1CCCC1.Cl
Isomeric Smiles
C1(C(=O)N2CCCC2)(Cc2ccc(c3sccc3)cc2)CNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.03533521
LogD (pH = 7.4)
0.41330022
Log P
3.1965382
Molar Refractivity
98.7
Polarizability
39.64376
Polar Surface Area
32.34
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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