Molecule

ID:23919

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClFNO₂
Molecular Mass
323.7896632
Exact Mass
323.10883475
Charge
0
InChI
InChI=1S/C17H18FNO2.ClH/c1-20-15-9-11-7-8-19-17(13(11)10-16(15)21-2)12-5-3-4-6-14(12)18;/h3-6,9-10,17,19H,7-8H2,1-2H3;1H
InChIKey
TZRFRHGCJKYRLS-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)CCNC2c1ccccc1F.Cl
Isomeric Smiles
c12C(c3c(cccc3)F)NCCc1cc(c(c2)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9332256
LogD (pH = 7.4)
2.6424098
Log P
3.1830828
Molar Refractivity
80.0412
Polarizability
30.843504
Polar Surface Area
30.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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