Molecule

ID:31404

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-12-10-14(11-17)13(2)16(12)5-3-4-15-6-8-18-9-7-15/h10-11H,3-9H2,1-2H3
InChIKey
CXROXHIDJODXFK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)CCCN1CCOCC1)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)CCCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.039199088
LogD (pH = 7.4)
1.1575935
Log P
1.2485348
Molar Refractivity
74.5559
Polarizability
27.761303
Polar Surface Area
34.47
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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