Molecule

ID:20115

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁ClN₂O
Molecular Mass
256.77164
Exact Mass
256.13424098
Charge
0
InChI
InChI=1S/C13H20N2O.ClH/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11,14H2;1H
InChIKey
HTNXQBDXRKSTJW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCCN1CCCCC1.Cl
Isomeric Smiles
N1(CCOc2ccc(N)cc2)CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4004567
LogD (pH = 7.4)
0.27520216
Log P
1.8556592
Molar Refractivity
67.3827
Polarizability
25.841887
Polar Surface Area
38.49
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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