Molecule

ID:55265

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClFN₂
Molecular Mass
272.7892832
Exact Mass
272.14555461
Charge
0
InChI
InChI=1S/C14H21FN2.ClH/c1-10-4-3-7-17(9-10)14-6-5-12(11(2)16)8-13(14)15;/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3;1H
InChIKey
OKEFEZGFHNSXAL-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)c1ccc(cc1F)C(N)C.Cl
Isomeric Smiles
N1(c2c(cc(cc2)C(N)C)F)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.021217247
LogD (pH = 7.4)
0.7747194
Log P
2.981674
Molar Refractivity
70.2088
Polarizability
26.642223
Polar Surface Area
29.26
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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