Molecule

ID:130544

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClNO₂
Molecular Mass
231.71912
Exact Mass
231.1026065
Charge
0
InChI
InChI=1S/C11H17NO2.ClH/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3;/h4-5,7-8H,6,12H2,1-3H3;1H
InChIKey
OLBMBFHNGDUGST-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)CC(N)C)OC.Cl
Isomeric Smiles
CC(Cc1cc(ccc1OC)OC)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5264212
LogD (pH = 7.4)
-0.90963775
Log P
1.4889079
Molar Refractivity
56.6316
Polarizability
22.335976
Polar Surface Area
44.48
Rotatable Bonds
4
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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