Molecule

ID:44956

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄BNO₃Si
Molecular Mass
317.26316
Exact Mass
317.16185057
Charge
0
InChI
InChI=1S/C16H24BNO3Si/c1-15(2)16(3,4)21-17(20-15)11-8-13-12(18-10-11)9-14(19-13)22(5,6)7/h8-10H,1-7H3
InChIKey
IDKZKDBOSLDGQN-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OB(OC1(C)C)c1cnc2c(c1)oc(c2)[Si](C)(C)C
Isomeric Smiles
c1(cnc2c(c1)oc(c2)[Si](C)(C)C)B1OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.7935877
LogD (pH = 7.4)
4.793699
Log P
4.7937
Molar Refractivity
77.3422
Polarizability
35.954105
Polar Surface Area
44.49
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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