Molecule

ID:52951

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇BN₂O₅
Molecular Mass
374.23908
Exact Mass
374.20130237
Charge
0
InChI
InChI=1S/C19H27BN2O5/c1-18(2)19(3,4)27-20(26-18)14-10-13(11-16(12-14)22(24)25)17(23)21-15-8-6-5-7-9-15/h10-12,15H,5-9H2,1-4H3,(H,21,23)
InChIKey
SBGOKBMAWPQJPF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-])NC1CCCCC1
Isomeric Smiles
c1c(cc(cc1B1OC(C(O1)(C)C)(C)C)C(=O)NC1CCCCC1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
13.516911
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
4.3366995
LogD (pH = 7.4)
4.3366995
Log P
4.3367
Molar Refractivity
98.0271
Polarizability
39.037933
Polar Surface Area
93.38
Rotatable Bonds
4
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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