Molecule

ID:30473

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-13-4-2-5-14(12-13)17-11-3-8-16-9-6-15-7-10-16/h2,4-5,12,15H,3,6-11H2,1H3
InChIKey
XQRPQFIUFGJJOQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)OCCCN1CCNCC1
Isomeric Smiles
N1(CCCOc2cc(ccc2)C)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3740271
LogD (pH = 7.4)
-0.02587183
Log P
1.8716718
Molar Refractivity
71.2023
Polarizability
28.00528
Polar Surface Area
24.5
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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