Molecule

ID:55571

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClFN
Molecular Mass
203.6842032
Exact Mass
203.08770539
Charge
0
InChI
InChI=1S/C10H14FN.ClH/c1-8(2)12-7-9-4-3-5-10(11)6-9;/h3-6,8,12H,7H2,1-2H3;1H
InChIKey
CFXKQDSAYITDQP-UHFFFAOYSA-N
Canonic Smiles
CC(NCc1cccc(c1)F)C.Cl
Isomeric Smiles
N(Cc1cc(F)ccc1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7343488
LogD (pH = 7.4)
0.3090854
Log P
2.4476795
Molar Refractivity
48.6898
Polarizability
18.864988
Polar Surface Area
12.03
Rotatable Bonds
3
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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