Molecule

ID:32693

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BClNO₂
Molecular Mass
239.5063
Exact Mass
239.08843681
Charge
0
InChI
InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3
InChIKey
XFZFMAUUZHBQSS-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cccnc1Cl
Isomeric Smiles
c1(c(cccn1)B1OC(C(O1)(C)C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4771981
LogD (pH = 7.4)
3.4772
Log P
3.4772
Molar Refractivity
59.4223
Polarizability
25.047762
Polar Surface Area
31.35
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
References
Bioactivity
Navigation