Molecule

ID:19487

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClFNO
Molecular Mass
267.7264032
Exact Mass
267.08262001
Charge
0
InChI
InChI=1S/C14H14FNO.ClH/c1-17-13-4-2-3-10(8-13)11-5-6-14(15)12(7-11)9-16;/h2-8H,9,16H2,1H3;1H
InChIKey
GKEATGINHYFSKQ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1ccc(c(c1)CN)F.Cl
Isomeric Smiles
c1cc(c2cc(OC)ccc2)cc(c1F)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.16363597
LogD (pH = 7.4)
1.1749047
Log P
2.7312703
Molar Refractivity
66.3472
Polarizability
26.82231
Polar Surface Area
35.25
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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