Molecule

ID:55289

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO
Molecular Mass
227.73042
Exact Mass
227.10769188
Charge
0
InChI
InChI=1S/C12H17NO.ClH/c1-10-2-4-11(5-3-10)13-12-6-8-14-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H
InChIKey
CMZIKLWZEWKFQL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)NC1CCOCC1.Cl
Isomeric Smiles
N(c1ccc(cc1)C)C1CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7107843
LogD (pH = 7.4)
1.9172423
Log P
1.9206314
Molar Refractivity
59.7685
Polarizability
22.410877
Polar Surface Area
21.26
Rotatable Bonds
2
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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