Molecule

ID:29132

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO
Molecular Mass
261.74664
Exact Mass
261.09204182
Charge
0
InChI
InChI=1S/C15H16ClNO/c1-2-18-15-10-6-5-9-14(15)17-11-12-7-3-4-8-13(12)16/h3-10,17H,2,11H2,1H3
InChIKey
WLXBFSQIIRIKCX-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1NCc1ccccc1Cl
Isomeric Smiles
N(Cc1c(Cl)cccc1)c1c(OCC)cccc1
Calculated Properties
JChem
Acid pKa
18.90807
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9525325
LogD (pH = 7.4)
3.9734056
Log P
3.9736784
Molar Refractivity
76.881
Polarizability
29.128016
Polar Surface Area
21.26
Rotatable Bonds
5
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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