Molecule

ID:136653

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅BN₂O₄
Molecular Mass
298.1016
Exact Mass
298.11248737
Charge
0
InChI
InChI=1S/C15H15BN2O4/c1-10-3-4-11-7-12(5-6-13(11)17-10)16-21-14(19)8-18(2)9-15(20)22-16/h3-7H,8-9H2,1-2H3
InChIKey
XDZZRHJGLBVWIH-UHFFFAOYSA-N
Canonic Smiles
CN1CC(=O)OB(OC(=O)C1)c1ccc2c(c1)ccc(n2)C
Isomeric Smiles
B1(OC(=O)CN(CC(=O)O1)C)c1ccc2c(c1)ccc(n2)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3750026
LogD (pH = 7.4)
2.434298
Log P
2.4351
Molar Refractivity
74.2892
Polarizability
32.204807
Polar Surface Area
68.73
Rotatable Bonds
1
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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