Molecule

ID:17010

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO
Molecular Mass
235.70936
Exact Mass
235.07639175
Charge
0
InChI
InChI=1S/C13H13NO.ClH/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12;/h1-9H,10,14H2;1H
InChIKey
WMFHUUKYIUOHRA-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)Oc1ccccc1.Cl
Isomeric Smiles
c1(Oc2ccccc2)cc(ccc1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.3772916
LogD (pH = 7.4)
0.64285123
Log P
2.5993013
Molar Refractivity
60.7722
Polarizability
24.067854
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Molecular Spectra
Molecule Details
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References
Bioactivity
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