Molecule

ID:128870

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂S
Molecular Mass
310.45638
Exact Mass
310.15036971
Charge
0
InChI
InChI=1S/C19H22N2S/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,17H,10-14H2,1H3
InChIKey
MYFNXITXHNLSJY-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C1Cc2ccccc2Sc2c1cccc2
Isomeric Smiles
S1c2ccccc2CC(c2c1cccc2)N1CCN(C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1157742
LogD (pH = 7.4)
2.8540077
Log P
4.050167
Molar Refractivity
96.3147
Polarizability
37.42739
Polar Surface Area
6.48
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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