Molecule
ID:119293
General Information
Molecular Formula
C₂₅H₃₉NO₃Si
Molecular Mass
429.66756
Exact Mass
429.26992065
Charge
0
InChI
InChI=1S/C25H39NO3Si/c1-22-12-13-25(27-14-15-28-25)16-18(22)6-7-19-20(22)8-10-23(2)21(19)9-11-24(23,17-26)29-30(3,4)5/h6,19-21H,7-16H2,1-5H3/t19-,20+,21+,22+,23+,24+/m1/s1
InChIKey
RWJNBTHURCCYMN-CKOZHMEPSA-N
Canonic Smiles
N#C[C@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC1(C2)OCCO1)O[Si](C)(C)C
Isomeric Smiles
[C@@]1([C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(=CC3)CC3(OCCO3)CC4)C)CC2)CC1)C)(C#N)O[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.8687
LogD (pH = 7.4)
4.8687
Log P
4.8687
Molar Refractivity
115.9323
Polarizability
47.740623
Polar Surface Area
51.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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