Molecule

ID:15994

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClFN₂O
Molecular Mass
244.6930632
Exact Mass
244.07786898
Charge
0
InChI
InChI=1S/C11H13FN2O.ClH/c12-10-7-9(8-15)1-2-11(10)14-5-3-13-4-6-14;/h1-2,7-8,13H,3-6H2;1H
InChIKey
DFJWOUDBSGXQOQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)F)N1CCNCC1.Cl
Isomeric Smiles
C(=O)c1cc(c(cc1)N1CCNCC1)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.507658
LogD (pH = 7.4)
0.10471058
Log P
1.4005656
Molar Refractivity
58.0424
Polarizability
21.19986
Polar Surface Area
32.34
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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