Molecule

ID:19635

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO
Molecular Mass
225.71454
Exact Mass
225.09204182
Charge
0
InChI
InChI=1S/C12H16ClNO/c13-10-5-6-12(11(14)7-10)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8,14H2
InChIKey
CLHIMWJTDHGGSE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)OCC1CCCC1
Isomeric Smiles
c1(cc(ccc1OCC1CCCC1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2554097
LogD (pH = 7.4)
3.2603445
Log P
3.260408
Molar Refractivity
63.1704
Polarizability
24.32367
Polar Surface Area
35.25
Rotatable Bonds
3
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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