Molecule

ID:88941

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₁BClNO₃
Molecular Mass
367.71834
Exact Mass
367.20855194
Charge
0
InChI
InChI=1S/C19H30BNO3.ClH/c1-18(2)19(3,4)24-20(23-18)17-9-5-7-16(15-17)8-6-10-21-11-13-22-14-12-21;/h5,7,9,15H,6,8,10-14H2,1-4H3;1H
InChIKey
WRGYYSFBZXNKLL-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cccc(c1)CCCN1CCOCC1.Cl
Isomeric Smiles
O1C(C(OB1c1cccc(c1)CCCN1CCOCC1)(C)C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1854594
LogD (pH = 7.4)
3.7881482
Log P
4.0927
Molar Refractivity
92.6863
Polarizability
38.309597
Polar Surface Area
30.93
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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