Molecule

ID:15383

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO
Molecular Mass
201.69314
Exact Mass
201.09204182
Charge
0
InChI
InChI=1S/C10H15NO.ClH/c11-7-9-12-8-6-10-4-2-1-3-5-10;/h1-5H,6-9,11H2;1H
InChIKey
KPAGQPARRIJPFL-UHFFFAOYSA-N
Canonic Smiles
NCCOCCc1ccccc1.Cl
Isomeric Smiles
NCCOCCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6424098
LogD (pH = 7.4)
-0.66676354
Log P
1.3406999
Molar Refractivity
50.3299
Polarizability
19.852837
Polar Surface Area
35.25
Rotatable Bonds
5
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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