Molecule

ID:21070

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO
Molecular Mass
225.71454
Exact Mass
225.09204182
Charge
0
InChI
InChI=1S/C12H16ClNO/c1-8-5-11(6-9(2)12(8)13)15-10-3-4-14-7-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKey
QQYBCDKBKZQOGN-UHFFFAOYSA-N
Canonic Smiles
Clc1c(C)cc(cc1C)OC1CNCC1
Isomeric Smiles
c1(c(cc(cc1C)OC1CCNC1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.20018435
LogD (pH = 7.4)
0.28561932
Log P
3.0302606
Molar Refractivity
62.6994
Polarizability
24.550953
Polar Surface Area
21.26
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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