Molecule

ID:32655

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃BN₂O₄
Molecular Mass
270.13302
Exact Mass
270.17508763
Charge
0
InChI
InChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKey
AFQWQRBBIZKYTE-UWVGGRQHSA-N
Canonic Smiles
CCCCB1O[C@@H]([C@H](O1)C(=O)N(C)C)C(=O)N(C)C
Isomeric Smiles
B1(O[C@@H]([C@H](O1)C(=O)N(C)C)C(=O)N(C)C)CCCC
Calculated Properties
JChem
Acid pKa
12.061124
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1788999
LogD (pH = 7.4)
1.1788906
Log P
1.1789
Molar Refractivity
66.5981
Polarizability
27.931314
Polar Surface Area
59.08
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
References
Bioactivity
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