Molecule
ID:115326
General Information
Molecular Formula
C₁₆H₁₆N₂O₃S
Molecular Mass
316.37484
Exact Mass
316.08816338
Charge
0
InChI
InChI=1S/C16H16N2O3S/c1-2-21-15(20)14-13(11-7-4-3-5-8-11)18-10-6-9-12(19)17-16(18)22-14/h3-5,7-8H,2,6,9-10H2,1H3
InChIKey
RVJIHCZWAJKZBX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc2=NC(=O)CCCn2c1c1ccccc1
Isomeric Smiles
c1(sc2=NC(=O)CCCn2c1c1ccccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
19.18943
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9816929
LogD (pH = 7.4)
1.9816929
Log P
1.9816929
Molar Refractivity
86.9572
Polarizability
32.929592
Polar Surface Area
58.97
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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