Molecule

ID:15324

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO
Molecular Mass
227.73042
Exact Mass
227.10769188
Charge
0
InChI
InChI=1S/C12H17NO.ClH/c1-10-4-2-3-5-12(10)14-11-6-8-13-9-7-11;/h2-5,11,13H,6-9H2,1H3;1H
InChIKey
BOSORTWFNPGKCS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OC1CCNCC1.Cl
Isomeric Smiles
c1(OC2CCNCC2)c(C)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2346445
LogD (pH = 7.4)
-0.39032587
Log P
1.9727541
Molar Refractivity
57.7188
Polarizability
22.792439
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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