Molecule

ID:47202

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-11-5-3-7-14(12(11)2)16-10-13-6-4-8-15-9-13;/h3,5,7,13,15H,4,6,8-10H2,1-2H3;1H
InChIKey
ZPIDBDAHKTXVQT-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1C)OCC1CCCNC1.Cl
Isomeric Smiles
c1(c(OCC2CNCCC2)cccc1C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23355421
LogD (pH = 7.4)
0.42403305
Log P
2.988333
Molar Refractivity
67.4792
Polarizability
26.404716
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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