Molecule

ID:70810

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₂BN₃O₄
Molecular Mass
377.28608
Exact Mass
377.24858692
Charge
0
InChI
InChI=1S/C19H32BN3O4/c1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20/h12-13,15H,8-11H2,1-7H3
InChIKey
QSQWENQPOSRWLP-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9128702
LogD (pH = 7.4)
2.9128997
Log P
2.9129
Molar Refractivity
109.768
Polarizability
40.420944
Polar Surface Area
65.82
Rotatable Bonds
4
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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