Molecule

ID:13504

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-10(12-8-5-9-14-2)11-6-3-4-7-13-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3
InChIKey
NAFSLJVIEUZHHQ-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(c1ccccn1)C
Isomeric Smiles
CC(c1ccccn1)NCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8862158
LogD (pH = 7.4)
-0.24381958
Log P
0.9771426
Molar Refractivity
57.0297
Polarizability
22.698912
Polar Surface Area
34.15
Rotatable Bonds
6
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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