Molecule

ID:26211

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClFN₂
Molecular Mass
228.6936632
Exact Mass
228.08295436
Charge
0
InChI
InChI=1S/C11H14ClFN2/c12-11-7-10(13)2-1-9(11)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKey
WWHXLQXVHUCVRZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)CN1CCNCC1
Isomeric Smiles
c1(c(cc(cc1)F)Cl)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.992746
LogD (pH = 7.4)
0.32042366
Log P
2.1254609
Molar Refractivity
60.3773
Polarizability
23.395077
Polar Surface Area
15.27
Rotatable Bonds
2
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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