Molecule

ID:64165

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀BClO₂
Molecular Mass
148.3957
Exact Mass
148.04623764
Charge
0
InChI
InChI=1S/C5H10BClO2/c7-5-3-1-2-4-6(8)9/h2,4,8-9H,1,3,5H2/b4-2+
InChIKey
AWQUWTLNJDUEMT-DUXPYHPUSA-N
Canonic Smiles
ClCCC/C=C/B(O)O
Isomeric Smiles
B(/C=C/CCCCl)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7020818
LogD (pH = 7.4)
1.7006612
Log P
1.7021
Molar Refractivity
34.4667
Polarizability
14.764918
Polar Surface Area
40.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Acid pKa
9.876693
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