Molecule

ID:24059

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClNO₃
Molecular Mass
247.71852
Exact Mass
247.09752112
Charge
0
InChI
InChI=1S/C11H17NO3.ClH/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3;/h5-7H,12H2,1-4H3;1H
InChIKey
HNZNTXCLONMODT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C(N)C.Cl
Isomeric Smiles
c1(c(cc(cc1OC)C(C)N)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.953329
LogD (pH = 7.4)
-1.0841844
Log P
1.0425755
Molar Refractivity
58.3398
Polarizability
23.089262
Polar Surface Area
53.71
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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