Molecule

ID:17852

General Information
Structure
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-17-14-4-2-13(3-5-14)11-16-8-6-12(10-15)7-9-16/h2-5,12H,6-11,15H2,1H3
InChIKey
ZHJBOQLHOJOBAN-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)Cc1ccc(cc1)OC
Isomeric Smiles
c1(CN2CCC(CC2)CN)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.7950478
LogD (pH = 7.4)
-2.7879367
Log P
1.4287499
Molar Refractivity
71.2637
Polarizability
28.079866
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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