Molecule

ID:65668

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)26-12-11-17-13-18(24)19(25-20(17)26)23-27-21(7,8)22(9,10)28-23/h11-16H,1-10H3
InChIKey
VUUAOMHTOPOYDB-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2ccn(c2nc1B1OC(C(O1)(C)C)(C)C)[Si](C(C)C)(C(C)C)C(C)C
Isomeric Smiles
c1(c(nc2c(c1)ccn2[Si](C(C)C)(C(C)C)C(C)C)B1OC(C(O1)(C)C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.5658994
LogD (pH = 7.4)
7.5659
Log P
7.5659
Molar Refractivity
115.0
Polarizability
49.044533
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
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Molecule Details
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References
Bioactivity
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