Molecule

ID:101646

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅BN₂O₂
Molecular Mass
288.1929
Exact Mass
288.20090845
Charge
0
InChI
InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-5-7-14(8-6-13)19-11-9-18-10-12-19/h5-8,18H,9-12H2,1-4H3
InChIKey
KARUXRFAVXKQFZ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)N1CCNCC1
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1ccc(N2CCNCC2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.44853365
LogD (pH = 7.4)
2.1467142
Log P
3.6047
Molar Refractivity
80.8971
Polarizability
33.30946
Polar Surface Area
33.73
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
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References
Bioactivity
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