Molecule

ID:136721

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₅NO₃Si
Molecular Mass
413.6251
Exact Mass
413.23862052
Charge
0
InChI
InChI=1S/C24H35NO3Si/c1-24(2,3)29(5,6)28-19-22(23(26)27-4)25(17-20-13-9-7-10-14-20)18-21-15-11-8-12-16-21/h7-16,22H,17-19H2,1-6H3/t22-/m0/s1
InChIKey
DJPQQPSBLOWFTI-QFIPXVFZSA-N
Canonic Smiles
COC(=O)[C@@H](N(Cc1ccccc1)Cc1ccccc1)CO[Si](C(C)(C)C)(C)C
Isomeric Smiles
CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)OC)N(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.192232
LogD (pH = 7.4)
5.590598
Log P
5.599
Molar Refractivity
115.9527
Polarizability
47.946033
Polar Surface Area
38.77
Rotatable Bonds
11
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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