Molecule

ID:47211

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-2-5-12-6-3-4-7-14(12)16-13-8-10-15-11-9-13;/h3-4,6-7,13,15H,2,5,8-11H2,1H3;1H
InChIKey
BYGHXMQHBMMMRM-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccccc1OC1CCNCC1.Cl
Isomeric Smiles
c1(OC2CCNCC2)c(CCC)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.34550723
LogD (pH = 7.4)
0.49881145
Log P
2.8618915
Molar Refractivity
66.9208
Polarizability
26.4834
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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