Molecule

ID:31100

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-17-13-7-5-12(6-8-13)14(11-15)16-9-3-2-4-10-16/h5-8,14H,2-4,9-11,15H2,1H3
InChIKey
AJXUGVNIFNKCNF-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OC)N1CCCCC1
Isomeric Smiles
N1(C(c2ccc(cc2)OC)CN)CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2542074
LogD (pH = 7.4)
0.005302003
Log P
1.8701208
Molar Refractivity
70.8259
Polarizability
28.07919
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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