Molecule

ID:17310

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNOS
Molecular Mass
277.76918
Exact Mass
277.03281269
Charge
0
InChI
InChI=1S/C14H12ClNOS/c15-9-14(17)16-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)16/h1-8,10,12H,9H2
InChIKey
MJWFQSVXOXKRRF-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1C2C=CC=CC2Sc2c1cccc2
Isomeric Smiles
N1(c2c(SC3C1C=CC=C3)cccc2)C(=O)CCl
Calculated Properties
JChem
Acid pKa
16.706293
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.785989
LogD (pH = 7.4)
2.785989
Log P
2.785989
Molar Refractivity
77.764
Polarizability
29.182468
Polar Surface Area
20.31
Rotatable Bonds
1
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