Molecule
ID:122015
General Information
Molecular Formula
C₁₅H₁₅ClFN
Molecular Mass
263.7377032
Exact Mass
263.08770539
Charge
0
InChI
InChI=1S/C15H15ClFN/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
InChIKey
DCSAIHCINAREQI-UHFFFAOYSA-N
Canonic Smiles
NCCC(c1ccc(cc1)Cl)c1ccc(cc1)F
Isomeric Smiles
c1(C(c2ccc(cc2)Cl)CCN)ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9803765
LogD (pH = 7.4)
1.5152059
Log P
3.9998138
Molar Refractivity
73.5522
Polarizability
28.400053
Polar Surface Area
26.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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