Molecule

ID:73583

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNO₂S
Molecular Mass
305.77928
Exact Mass
305.02772731
Charge
0
InChI
InChI=1S/C15H12ClNO2S/c1-11-7-9-12(10-8-11)20(18,19)15(17-2)13-5-3-4-6-14(13)16/h3-10,15H,1H3
InChIKey
OJTNCTIKOLHDLT-UHFFFAOYSA-N
Canonic Smiles
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccccc1Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)C(c1ccccc1Cl)[N+]#[C-]
Calculated Properties
JChem
Acid pKa
11.65244
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0791109
LogD (pH = 7.4)
2.0790868
Log P
2.079111
Molar Refractivity
88.6448
Polarizability
31.69765
Polar Surface Area
38.5
Rotatable Bonds
3
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