Molecule

ID:13596

General Information
Structure
Molecular Formula
C₉H₁₅NO
Molecular Mass
153.2215
Exact Mass
153.11536411
Charge
0
InChI
InChI=1S/C9H15NO/c1-8(10-2)5-6-9-4-3-7-11-9/h3-4,7-8,10H,5-6H2,1-2H3
InChIKey
WWFXMPUDFGFLSQ-UHFFFAOYSA-N
Canonic Smiles
CNC(CCc1ccco1)C
Isomeric Smiles
c1cc(oc1)CCC(NC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6416281
LogD (pH = 7.4)
-1.0855196
Log P
1.5857388
Molar Refractivity
45.6257
Polarizability
17.850517
Polar Surface Area
25.17
Rotatable Bonds
4
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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