Molecule

ID:20042

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClNO
Molecular Mass
233.69348
Exact Mass
233.06074169
Charge
0
InChI
InChI=1S/C13H12ClNO/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
InChIKey
WOWKZTBVWKKGJV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)OCc1ccccc1
Isomeric Smiles
c1(cc(N)ccc1OCc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.287049
LogD (pH = 7.4)
3.3148007
Log P
3.3151665
Molar Refractivity
66.639
Polarizability
25.457613
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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