Molecule

ID:19884

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClNO
Molecular Mass
173.63998
Exact Mass
173.06074169
Charge
0
InChI
InChI=1S/C8H11NO.ClH/c1-6-3-4-7(9)8(5-6)10-2;/h3-5H,9H2,1-2H3;1H
InChIKey
QMXZGEQAGKDYLW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1N.Cl
Isomeric Smiles
c1(c(ccc(c1)C)N)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4185742
LogD (pH = 7.4)
1.4989415
Log P
1.50007
Molar Refractivity
42.2628
Polarizability
15.752074
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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