Molecule

ID:73247

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NOS
Molecular Mass
297.41456
Exact Mass
297.11873523
Charge
0
InChI
InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1
InChIKey
ZEUITGRIYCTCEM-QGZVFWFLSA-N
Canonic Smiles
CNCC[C@H](c1cccs1)Oc1cccc2c1cccc2
Isomeric Smiles
c1cc(c2c(c1)cccc2)O[C@H](CCNC)c1sccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0008107
LogD (pH = 7.4)
1.9402544
Log P
4.197729
Molar Refractivity
87.7339
Polarizability
35.708214
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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