Molecule

ID:28860

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀FNO
Molecular Mass
343.4781032
Exact Mass
343.23114281
Charge
0
InChI
InChI=1S/C22H30FNO/c1-21(2,3)16-7-12-20(19(15-16)22(4,5)6)25-14-13-24-18-10-8-17(23)9-11-18/h7-12,15,24H,13-14H2,1-6H3
InChIKey
INOZNEOCKAGAJP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCCOc1ccc(cc1C(C)(C)C)C(C)(C)C
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCCNc1ccc(F)cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.2997904
LogD (pH = 7.4)
6.3225894
Log P
6.322888
Molar Refractivity
104.3522
Polarizability
39.654694
Polar Surface Area
21.26
Rotatable Bonds
7
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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