Molecule

ID:19705

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO
Molecular Mass
259.73076
Exact Mass
259.07639175
Charge
0
InChI
InChI=1S/C15H14ClNO/c16-12-5-7-15(14(17)9-12)18-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3,17H2
InChIKey
AOFLOCJUCQARQW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)Oc1ccc2c(c1)CCC2
Isomeric Smiles
c1(c(cc(cc1)Cl)N)Oc1cc2c(cc1)CCC2
Calculated Properties
JChem
Acid pKa
19.759916
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2560515
LogD (pH = 7.4)
4.256334
Log P
4.256337
Molar Refractivity
74.6852
Polarizability
28.292362
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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