Molecule

ID:15696

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClFNO₃
Molecular Mass
303.7569632
Exact Mass
303.10374937
Charge
0
InChI
InChI=1S/C14H18FNO3.ClH/c1-19-13-7-10(4-5-12(13)15)8-16-6-2-3-11(9-16)14(17)18;/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,18);1H
InChIKey
WPGYBMJHIULIBD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1F)CN1CCCC(C1)C(=O)O.Cl
Isomeric Smiles
Cl.c1(c(cc(cc1)CN1CC(CCC1)C(=O)O)OC)F
Calculated Properties
JChem
Acid pKa
3.0897775
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.59884036
LogD (pH = 7.4)
-0.6374913
Log P
-0.59905726
Molar Refractivity
69.5082
Polarizability
26.748999
Polar Surface Area
49.77
Rotatable Bonds
4
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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