Molecule

ID:13207

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO
Molecular Mass
191.26948
Exact Mass
191.13101417
Charge
0
InChI
InChI=1S/C12H17NO/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-3,5-6,12-13H,4,7-10H2
InChIKey
HKJDMUFGBWLGAV-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1ccccc1
Isomeric Smiles
c1cccc(c1)CNCC1CCCO1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.183394
LogD (pH = 7.4)
0.07452626
Log P
1.9501836
Molar Refractivity
57.5607
Polarizability
22.884026
Polar Surface Area
21.26
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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