Molecule

ID:132723

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-;/m0./s1
InChIKey
NRHUDETYKUBQJT-ZOWNYOTGSA-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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation