Molecule

ID:132067

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO
Molecular Mass
255.78358
Exact Mass
255.13899201
Charge
0
InChI
InChI=1S/C14H21NO.ClH/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12;/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3;1H/t13-;/m1./s1
InChIKey
NRHUDETYKUBQJT-BTQNPOSSSA-N
Canonic Smiles
CCCN1CCC[C@H](C1)c1cccc(c1)O.Cl
Isomeric Smiles
CCCN1CCC[C@H](C1)c1cccc(c1)O.Cl
Calculated Properties
JChem
Acid pKa
10.280098
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2470566
LogD (pH = 7.4)
1.0989674
Log P
2.67092
Molar Refractivity
67.9502
Polarizability
26.406725
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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