Molecule

ID:92502

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O
Molecular Mass
218.29482
Exact Mass
218.14191321
Charge
0
InChI
InChI=1S/C13H18N2O/c1-14-5-7-15(8-6-14)10-12-3-2-4-13(9-12)11-16/h2-4,9,11H,5-8,10H2,1H3
InChIKey
KKYYCUZQPBFXKD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)CN1CCN(CC1)C
Isomeric Smiles
N1(CCN(CC1)C)Cc1cc(ccc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.5428774
LogD (pH = 7.4)
1.1050985
Log P
1.4742645
Molar Refractivity
67.2348
Polarizability
25.604618
Polar Surface Area
23.55
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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