Molecule

ID:55267

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClFN₂
Molecular Mass
272.7892832
Exact Mass
272.14555461
Charge
0
InChI
InChI=1S/C14H21FN2.ClH/c1-11(16)12-6-7-14(13(15)10-12)17-8-4-2-3-5-9-17;/h6-7,10-11H,2-5,8-9,16H2,1H3;1H
InChIKey
AAZSHQFSQLXJDT-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1N1CCCCCC1)C(N)C.Cl
Isomeric Smiles
c1(N2CCCCCC2)c(cc(cc1)C(N)C)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.05834739
LogD (pH = 7.4)
0.8542357
Log P
3.0612698
Molar Refractivity
70.3382
Polarizability
26.642235
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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