Molecule

ID:99280

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFN
Molecular Mass
215.6949032
Exact Mass
215.08770539
Charge
0
InChI
InChI=1S/C11H14FN.ClH/c12-11(6-8-13-9-7-11)10-4-2-1-3-5-10;/h1-5,13H,6-9H2;1H
InChIKey
YKHBLOUKDHUYIT-UHFFFAOYSA-N
Canonic Smiles
FC1(CCNCC1)c1ccccc1.Cl
Isomeric Smiles
N1CCC(c2ccccc2)(CC1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5090196
LogD (pH = 7.4)
-0.4171977
Log P
1.6645148
Molar Refractivity
51.2278
Polarizability
20.004225
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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