Molecule

ID:23926

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c1-12-8-11-10-5-3-2-4-9(10)6-7-13-11;/h2-5,11-12H,6-8H2,1H3;1H
InChIKey
RNWDINNLLMCYGO-UHFFFAOYSA-N
Canonic Smiles
CNCC1OCCc2c1cccc2.Cl
Isomeric Smiles
c12c(CCOC1CNC)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5612707
LogD (pH = 7.4)
-0.3451345
Log P
1.5842748
Molar Refractivity
53.3293
Polarizability
20.953693
Polar Surface Area
21.26
Rotatable Bonds
2
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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