Molecule

ID:61748

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-11-3-4-13(9-12(11)2)16-10-14(17)5-7-15-8-6-14/h3-4,9,15-17H,5-8,10H2,1-2H3
InChIKey
MGJBGAZULFDMKO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)NCC1(O)CCNCC1
Isomeric Smiles
c1(c(ccc(c1)NCC1(CCNCC1)O)C)C
Calculated Properties
JChem
Acid pKa
14.326185
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.9308337
LogD (pH = 7.4)
-0.91277647
Log P
1.3502916
Molar Refractivity
72.6725
Polarizability
27.471199
Polar Surface Area
44.29
Rotatable Bonds
3
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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