Molecule

ID:19628

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO
Molecular Mass
259.73076
Exact Mass
259.07639175
Charge
0
InChI
InChI=1S/C15H14ClNO/c16-13-5-2-6-14(17)15(13)18-12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4,17H2
InChIKey
JZAXAJSVKISWDT-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1Oc1ccc2c(c1)CCC2)Cl
Isomeric Smiles
c1(Oc2cc3c(cc2)CCC3)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.968014
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2559137
LogD (pH = 7.4)
4.256332
Log P
4.256337
Molar Refractivity
74.6852
Polarizability
28.319704
Polar Surface Area
35.25
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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