Molecule

ID:19388

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO
Molecular Mass
227.73042
Exact Mass
227.10769188
Charge
0
InChI
InChI=1S/C12H17NO.ClH/c1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;/h2-3,6,8,11,13H,4-5,7,9H2,1H3;1H
InChIKey
PUSGLZAYZOPJCB-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1CCCCN1.Cl
Isomeric Smiles
c1(C2NCCCC2)c(OC)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8061948
LogD (pH = 7.4)
0.56855583
Log P
2.2840567
Molar Refractivity
57.5814
Polarizability
22.866222
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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