Molecule

ID:101652

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄BN₃O₂
Molecular Mass
289.18096
Exact Mass
289.19615742
Charge
0
InChI
InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-5-6-18-13(11-12)19-9-7-17-8-10-19/h5-6,11,17H,7-10H2,1-4H3
InChIKey
LOZSSHYLDBDYSQ-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1ccnc(c1)N1CCNCC1
Isomeric Smiles
B1(OC(C(O1)(C)C)(C)C)c1cc(N2CCNCC2)ncc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.115190305
LogD (pH = 7.4)
1.6049007
Log P
2.9914
Molar Refractivity
79.0537
Polarizability
32.405754
Polar Surface Area
46.62
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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