Molecule

ID:47231

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-11-3-4-14(9-12(11)2)16-10-13-5-7-15-8-6-13;/h3-4,9,13,15H,5-8,10H2,1-2H3;1H
InChIKey
ZBGUXPJLZVYYID-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)OCC1CCNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)OCC1CCNCC1)C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2846446
LogD (pH = 7.4)
0.17612618
Log P
2.9467762
Molar Refractivity
67.578
Polarizability
26.403229
Polar Surface Area
21.26
Rotatable Bonds
3
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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