Molecule

ID:51653

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₉BN₂O₃
Molecular Mass
344.25616
Exact Mass
344.2271232
Charge
0
InChI
InChI=1S/C19H29BN2O3/c1-17(2,3)16(23)22-10-8-9-13-11-14(12-21-15(13)22)20-24-18(4,5)19(6,7)25-20/h11-12H,8-10H2,1-7H3
InChIKey
LVERYMRCXQZLII-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)N1CCCc2c1ncc(c2)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1(cnc2c(c1)CCCN2C(=O)C(C)(C)C)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.616179
LogD (pH = 7.4)
4.6162
Log P
4.6162
Molar Refractivity
93.4616
Polarizability
38.302097
Polar Surface Area
51.66
Rotatable Bonds
2
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
References
Bioactivity
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