Molecule

ID:106389

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₃S
Molecular Mass
306.38002
Exact Mass
306.10381345
Charge
0
InChI
InChI=1S/C15H18N2O3S/c1-9-7-14(18)20-13-8-10(3-4-11(9)13)17-15(19)12(16)5-6-21-2/h3-4,7-8,12H,5-6,16H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKey
FHLNBHBQGFIHKH-LBPRGKRZSA-N
Canonic Smiles
CSCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N
Isomeric Smiles
CSCC[C@H](N)C(=O)Nc1ccc2c(c1)oc(=O)cc2C
Calculated Properties
JChem
Acid pKa
13.046453
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.95521456
LogD (pH = 7.4)
0.70782036
Log P
1.6165273
Molar Refractivity
85.6359
Polarizability
32.534184
Polar Surface Area
81.42
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
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Molecule Details
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References
Bioactivity
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