Molecule

ID:76256

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO₂
Molecular Mass
243.72982
Exact Mass
243.1026065
Charge
0
InChI
InChI=1S/C12H17NO2.ClH/c1-14-11-3-2-4-12(9-11)15-10-5-7-13-8-6-10;/h2-4,9-10,13H,5-8H2,1H3;1H
InChIKey
UHCDHUVVZSMUKC-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Oc2cc(ccc2)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9057373
LogD (pH = 7.4)
-1.0614187
Log P
1.3016615
Molar Refractivity
59.1408
Polarizability
23.5271
Polar Surface Area
30.49
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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