Molecule

ID:224

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NS
Molecular Mass
309.46832
Exact Mass
309.15512074
Charge
0
InChI
InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChIKey
MJFJKKXQDNNUJF-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2
Isomeric Smiles
S1c2c(C(CC3CCCN(C3)C)c3c1cccc3)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
3.13
LogD (pH = 5.5)
1.73
Log P
5.06
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
9.34
Polar Surface Area
3.24
Polarizability
35.47
Molar Refractivity
97.17
LOG S
-4.11
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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