Molecule

ID:105481

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈N₂O₂S
Molecular Mass
350.43412
Exact Mass
350.10889883
Charge
0
InChI
InChI=1S/C20H18N2O2S/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h5-12H,3-4H2,1-2H3
InChIKey
VBVAVBCYMYWNOU-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(s1)cccc2)CC
Isomeric Smiles
CCN(CC)c1ccc2cc(c(=O)oc2c1)c1nc2ccccc2s1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.7696753
LogD (pH = 7.4)
4.7906046
Log P
4.790878
Molar Refractivity
100.4744
Polarizability
39.173138
Polar Surface Area
42.43
Rotatable Bonds
4
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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