Molecule

ID:19088

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-2-17-13-7-5-12(6-8-13)14(11-15)16-9-3-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3
InChIKey
IHSRNHAQSLSZON-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OCC)N1CCCC1
Isomeric Smiles
N1(C(c2ccc(cc2)OCC)CN)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.441879
LogD (pH = 7.4)
-0.1511882
Log P
1.78236
Molar Refractivity
70.9735
Polarizability
28.079023
Polar Surface Area
38.49
Rotatable Bonds
5
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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