Molecule

ID:29165

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₂FNO
Molecular Mass
300.1555832
Exact Mass
299.02799759
Charge
0
InChI
InChI=1S/C14H12Cl2FNO/c15-10-5-6-14(11(16)9-10)19-8-7-18-13-4-2-1-3-12(13)17/h1-6,9,18H,7-8H2
InChIKey
VXNZBFOESSJJJI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OCCNc1ccccc1F
Isomeric Smiles
c1(cc(ccc1OCCNc1c(F)cccc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
16.49337
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4402647
LogD (pH = 7.4)
4.4408574
Log P
4.440865
Molar Refractivity
76.63
Polarizability
28.887094
Polar Surface Area
21.26
Rotatable Bonds
5
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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