Molecule

ID:82025

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₅O₂P
Molecular Mass
352.406461
Exact Mass
352.15921667
Charge
0
InChI
InChI=1S/C22H25O2P/c1-21-14-13-17(15-20(21)23)22(21,2)16-25(24,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKey
WGNZYPKNUMNPEW-UHFFFAOYSA-N
Canonic Smiles
O=C1CC2C(C1(C)CC2)(C)CP(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)CC1(C2(C(=O)CC1CC2)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3561
LogD (pH = 7.4)
5.3561
Log P
5.3561
Molar Refractivity
101.3492
Polarizability
40.381046
Polar Surface Area
34.14
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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