Molecule

ID:13481

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-10-7-8-12(14-10)9-13-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9H2,1H3
InChIKey
NQTVZPSKHVADEH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNC1CCCCC1
Isomeric Smiles
c1cc(oc1C)CNC1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.42320722
LogD (pH = 7.4)
1.0829223
Log P
2.5906732
Molar Refractivity
57.8608
Polarizability
22.646793
Polar Surface Area
25.17
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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