Molecule

ID:75741

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈BClO₂
Molecular Mass
264.55552
Exact Mass
264.1088379
Charge
0
InChI
InChI=1S/C14H18BClO2/c1-10(11-6-8-12(16)9-7-11)15-17-13(2,3)14(4,5)18-15/h6-9H,1H2,2-5H3
InChIKey
JGSGBFKOANEXOW-UHFFFAOYSA-N
Canonic Smiles
C=C(c1ccc(cc1)Cl)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
Clc1ccc(cc1)C(=C)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3162
LogD (pH = 7.4)
4.3162
Log P
4.3162
Molar Refractivity
70.1156
Polarizability
29.389864
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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