Molecule

ID:19375

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFN
Molecular Mass
215.6949032
Exact Mass
215.08770539
Charge
0
InChI
InChI=1S/C11H14FN.ClH/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10;/h1,3,5,7,10,13H,2,4,6,8H2;1H
InChIKey
MXCZNHNUNCBCBD-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C1CCCNC1.Cl
Isomeric Smiles
c1(cc(F)ccc1)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.91795224
LogD (pH = 7.4)
-0.18611404
Log P
2.2989664
Molar Refractivity
51.6184
Polarizability
19.902075
Polar Surface Area
12.03
Rotatable Bonds
1
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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