Molecule

ID:18983

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;/h5-7,11H,2-4,12H2,1H3;1H
InChIKey
DGIFWWPVOFOTLY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)CCCC2N.Cl
Isomeric Smiles
c12c(cc(cc1)OC)CCCC2N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0776603
LogD (pH = 7.4)
-0.34345183
Log P
1.9301358
Molar Refractivity
53.1764
Polarizability
20.93997
Polar Surface Area
35.25
Rotatable Bonds
1
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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