Molecule

ID:44112

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₃O₂S
Molecular Mass
305.39526
Exact Mass
305.11979786
Charge
0
InChI
InChI=1S/C15H19N3O2S/c1-2-20-15(19)12-5-7-18(8-6-12)10-11-3-4-13-14(9-11)17-21-16-13/h3-4,9,12H,2,5-8,10H2,1H3
InChIKey
HMRNIHRDRVTEQR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)Cc1ccc2c(c1)nsn2
Isomeric Smiles
c12c(nsn1)ccc(c2)CN1CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.87918854
LogD (pH = 7.4)
2.3996089
Log P
2.6340842
Molar Refractivity
82.9827
Polarizability
32.924892
Polar Surface Area
55.32
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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