Molecule

ID:75488

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀BNO₄
Molecular Mass
347.2568
Exact Mass
347.22678885
Charge
0
InChI
InChI=1S/C19H30BNO4/c1-18(2)19(3,4)25-20(24-18)16-6-8-17(9-7-16)23-13-5-10-21-11-14-22-15-12-21/h6-9H,5,10-15H2,1-4H3
InChIKey
CNKVMMVQJAQTCV-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)OCCCN1CCOCC1
Isomeric Smiles
O1B(c2ccc(cc2)OCCCN2CCOCC2)OC(C1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.8165368
LogD (pH = 7.4)
3.1883173
Log P
3.3363
Molar Refractivity
94.1353
Polarizability
39.055393
Polar Surface Area
40.16
Rotatable Bonds
6
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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