Molecule

ID:89543

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇BN₂O₄
Molecular Mass
322.20758
Exact Mass
322.20638775
Charge
0
InChI
InChI=1S/C16H27BN2O4/c1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14/h11-12,14H,5-10H2,1-4H3
InChIKey
YWRBLSYOLXMZGA-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cnn(c1)CCOC1CCCCO1
Isomeric Smiles
O1CCCCC1OCCn1cc(B2OC(C(O2)(C)C)(C)C)cn1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.7045696
LogD (pH = 7.4)
2.7045996
Log P
2.7046
Molar Refractivity
93.6935
Polarizability
34.300655
Polar Surface Area
54.74
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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