Molecule

ID:127459

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₆FNO
Molecular Mass
339.4463432
Exact Mass
339.19984268
Charge
0
InChI
InChI=1S/C22H26FNO/c1-15-21-13-17-5-8-19(25)14-20(17)22(15,2)10-12-24(21)11-9-16-3-6-18(23)7-4-16/h3-8,14-15,21,25H,9-13H2,1-2H3/t15-,21-,22+/m0/s1
InChIKey
PUPFATUGTIQBQA-UZQPLGKSSA-N
Canonic Smiles
Fc1ccc(cc1)CCN1CC[C@@]2([C@H]([C@@H]1Cc1c2cc(cc1)O)C)C
Isomeric Smiles
Fc1ccc(cc1)CCN1[C@H]2Cc3c(cc(O)cc3)[C@@]([C@H]2C)(CC1)C
Calculated Properties
JChem
Acid pKa
7.593263
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8618608
LogD (pH = 7.4)
3.2420518
Log P
3.642519
Molar Refractivity
100.2651
Polarizability
38.427673
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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