Molecule

ID:28812

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃ClN₂O
Molecular Mass
270.79822
Exact Mass
270.14989105
Charge
0
InChI
InChI=1S/C14H23ClN2O/c1-3-17(4-2)11-9-16-10-12-18-14-8-6-5-7-13(14)15/h5-8,16H,3-4,9-12H2,1-2H3
InChIKey
FSALKFHCQOHCOZ-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNCCOc1ccccc1Cl)CC
Isomeric Smiles
c1(c(OCCNCCN(CC)CC)cccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7085556
LogD (pH = 7.4)
0.7358098
Log P
2.7874763
Molar Refractivity
77.5667
Polarizability
30.673258
Polar Surface Area
24.5
Rotatable Bonds
9
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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