Molecule

ID:15325

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO
Molecular Mass
201.69314
Exact Mass
201.09204182
Charge
0
InChI
InChI=1S/C10H15NO.ClH/c1-9-5-3-4-6-10(9)12-8-7-11-2;/h3-6,11H,7-8H2,1-2H3;1H
InChIKey
CHTFUBDQHBEABQ-UHFFFAOYSA-N
Canonic Smiles
CNCCOc1ccccc1C.Cl
Isomeric Smiles
c1(c(C)cccc1)OCCNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2117474
LogD (pH = 7.4)
-0.13520443
Log P
1.9645926
Molar Refractivity
50.2868
Polarizability
19.83874
Polar Surface Area
21.26
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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