Molecule

ID:117215

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-17-13-8-11-4-7-16(6-3-5-15)10-12(11)9-14(13)18-2/h8-9H,3-7,10,15H2,1-2H3
InChIKey
NAIOKJKKMHITGC-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCc2c(C1)cc(c(c2)OC)OC
Isomeric Smiles
c12c(cc(c(c1)OC)OC)CCN(C2)CCCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.078793
LogD (pH = 7.4)
-2.0187562
Log P
0.90216446
Molar Refractivity
73.6519
Polarizability
28.65645
Polar Surface Area
47.72
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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