Molecule

ID:35766

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-17-14-4-2-3-13(9-14)11-16-7-5-12(10-15)6-8-16/h2-4,9,12H,5-8,10-11,15H2,1H3
InChIKey
KPHVUQOITVRPOE-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)Cc1cccc(c1)OC
Isomeric Smiles
N1(Cc2cc(OC)ccc2)CCC(CC1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.7653074
LogD (pH = 7.4)
-2.7325945
Log P
1.4287499
Molar Refractivity
71.2637
Polarizability
28.0799
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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