Molecule

ID:128276

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₀O₃
Molecular Mass
400.594
Exact Mass
400.29774514
Charge
0
InChI
InChI=1S/C26H40O3/c1-24-15-11-19(27)17-18(24)7-8-20-21-9-10-23(25(21,2)16-12-22(20)24)29-26(28-3)13-5-4-6-14-26/h11,15,18,20-23H,4-10,12-14,16-17H2,1-3H3/t18-,20-,21-,22-,23-,24-,25-/m0/s1
InChIKey
AGGYYWICUTUTCC-NMTVEPIMSA-N
Canonic Smiles
COC1(CCCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C=CC(=O)C2
Isomeric Smiles
O=C1C=C[C@@]2(C)[C@H](C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2OC1(OC)CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.8475175
LogD (pH = 7.4)
5.8475175
Log P
5.8475175
Molar Refractivity
116.9011
Polarizability
46.188393
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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