Molecule

ID:31909

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO
Molecular Mass
227.73042
Exact Mass
227.10769188
Charge
0
InChI
InChI=1S/C12H17NO.ClH/c1-8-4-5-9-10(13)7-12(2,3)14-11(9)6-8;/h4-6,10H,7,13H2,1-3H3;1H
InChIKey
LKWTZLIPPKWQEF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)OC(CC2N)(C)C.Cl
Isomeric Smiles
c12c(C(CC(O1)(C)C)N)ccc(c2)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.845583
LogD (pH = 7.4)
0.332492
Log P
2.100118
Molar Refractivity
57.6594
Polarizability
22.786179
Polar Surface Area
35.25
Rotatable Bonds
0
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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