Molecule

ID:84723

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅BClNO₂
Molecular Mass
297.6285
Exact Mass
297.16668713
Charge
0
InChI
InChI=1S/C15H24BNO2.ClH/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)11-17(5)6;/h7-10H,11H2,1-6H3;1H
InChIKey
WQRBUTFEVSUAFF-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C.Cl
Isomeric Smiles
B1(c2ccc(cc2)CN(C)C)OC(C(O1)(C)C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.73737997
LogD (pH = 7.4)
2.5336144
Log P
3.7873
Molar Refractivity
74.2558
Polarizability
31.068987
Polar Surface Area
21.7
Rotatable Bonds
3
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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