Molecule

ID:35656

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-10-5-2-3-7-12(10)13-9-11-6-4-8-14-11/h4,6,8,10,12-13H,2-3,5,7,9H2,1H3
InChIKey
NBHGOQKKOCVQLI-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCC1NCc1ccco1
Isomeric Smiles
c1(occc1)CNC1C(C)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.30151147
LogD (pH = 7.4)
1.1378165
Log P
2.7560847
Molar Refractivity
57.1827
Polarizability
22.724266
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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