Molecule

ID:36776

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂S
Molecular Mass
284.33298
Exact Mass
284.06194863
Charge
0
InChI
InChI=1S/C15H12N2O2S/c1-10-7-8-12(19-10)9-13-14(18)17(15(20)16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,20)/b13-9+
InChIKey
PFRJPCCUGRBBPF-UKTHLTGXSA-N
Canonic Smiles
Cc1ccc(o1)/C=C\1/N=C(N(C1=O)c1ccccc1)S
Isomeric Smiles
N1(C(=N/C(=C/c2oc(cc2)C)/C1=O)S)c1ccccc1
Calculated Properties
JChem
Acid pKa
6.0036144
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0432885
LogD (pH = 7.4)
2.1845424
Log P
3.1520636
Molar Refractivity
80.5911
Polarizability
30.032488
Polar Surface Area
45.81
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation