Molecule

ID:275

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂S
Molecular Mass
312.47226
Exact Mass
312.16601978
Charge
0
InChI
InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
InChIKey
CDOZDBSBBXSXLB-UHFFFAOYSA-N
Canonic Smiles
CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC
Isomeric Smiles
S1c2c(N(CC(N(CC)CC)C)c3c1cccc3)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
2.82
LogD (pH = 5.5)
1.60
Log P
5.00
Rotatable Bonds
5
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
9.60
Polar Surface Area
6.48
Polarizability
36.33
Molar Refractivity
98.00
LOG S
-4.82
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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