Molecule

ID:130736

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₅ClFNO₂
Molecular Mass
377.8801032
Exact Mass
377.15578495
Charge
0
InChI
InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
InChIKey
WNZBBTJFOIOEMP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(CCCN1CCC(CC1)(O)c1ccc(cc1)Cl)O
Isomeric Smiles
c1cc(ccc1C(CCCN1CCC(CC1)(c1ccc(cc1)Cl)O)O)F
Calculated Properties
JChem
Acid pKa
13.840034
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5744517
LogD (pH = 7.4)
2.2898362
Log P
3.5746782
Molar Refractivity
103.3209
Polarizability
40.041653
Polar Surface Area
43.7
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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