Molecule

ID:55266

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClFN₂
Molecular Mass
286.8158632
Exact Mass
286.16120468
Charge
0
InChI
InChI=1S/C15H23FN2.ClH/c1-11-5-4-8-18(10-11)15-7-6-13(9-14(15)16)12(2)17-3;/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3;1H
InChIKey
DYRMRBCBYQHDCZ-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccc(c(c1)F)N1CCCC(C1)C)C.Cl
Isomeric Smiles
N1(c2c(cc(cc2)C(NC)C)F)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.22715111
LogD (pH = 7.4)
1.2384623
Log P
3.4142544
Molar Refractivity
74.9834
Polarizability
28.4848
Polar Surface Area
15.27
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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