Molecule

ID:23880

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₆BClN₂O₂Si
Molecular Mass
434.88294
Exact Mass
434.23276301
Charge
0
InChI
InChI=1S/C22H36BClN2O2Si/c1-14(2)29(15(3)4,16(5)6)26-12-11-17-19(18(24)13-25-20(17)26)23-27-21(7,8)22(9,10)28-23/h11-16H,1-10H3
InChIKey
SDKUECRBPCPNKK-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(c1B1OC(C(O1)(C)C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(cnc2c(c1B1OC(C(O1)(C)C)(C)C)ccn2[Si](C(C)C)(C(C)C)C(C)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.867298
LogD (pH = 7.4)
6.8673
Log P
6.8673
Molar Refractivity
114.6865
Polarizability
49.045246
Polar Surface Area
36.28
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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