Molecule

ID:47102

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO₂
Molecular Mass
243.72982
Exact Mass
243.1026065
Charge
0
InChI
InChI=1S/C12H17NO2.ClH/c1-2-4-11(5-3-1)14-8-9-15-12-6-7-13-10-12;/h1-5,12-13H,6-10H2;1H
InChIKey
UGTSNPIHXJBNAZ-UHFFFAOYSA-N
Canonic Smiles
C(OC1CNCC1)COc1ccccc1.Cl
Isomeric Smiles
N1CCC(OCCOc2ccccc2)C1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8817714
LogD (pH = 7.4)
-1.50079
Log P
1.3523974
Molar Refractivity
58.8557
Polarizability
23.54393
Polar Surface Area
30.49
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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