Molecule

ID:56782

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrClOS
Molecular Mass
253.54394
Exact Mass
251.90112549
Charge
0
InChI
InChI=1S/C7H6BrClOS/c1-2-5-4(8)3-6(11-5)7(9)10/h3H,2H2,1H3
InChIKey
PLMQQVJPNPOWQW-UHFFFAOYSA-N
Canonic Smiles
CCc1sc(cc1Br)C(=O)Cl
Isomeric Smiles
c1(sc(c(c1)Br)CC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9362218
LogD (pH = 7.4)
3.9362218
Log P
3.9362218
Molar Refractivity
51.2657
Polarizability
19.423553
Polar Surface Area
17.07
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