Molecule

ID:39787

General Information
Structure
Molecular Formula
C₁₄H₁₁NOS
Molecular Mass
241.30824
Exact Mass
241.05613498
Charge
0
InChI
InChI=1S/C14H11NOS/c1-8-2-4-12-10(6-8)14(16)11-7-9(15)3-5-13(11)17-12/h2-7H,15H2,1H3
InChIKey
VVQULFWWOHEBQC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(=O)c1c(s2)ccc(c1)N
Isomeric Smiles
c1(=O)c2c(sc3c1cc(N)cc3)ccc(c2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3314416
LogD (pH = 7.4)
3.3325834
Log P
3.332598
Molar Refractivity
73.0012
Polarizability
27.199772
Polar Surface Area
43.09
Rotatable Bonds
0
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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