Molecule

ID:12665

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-2-3-4-5-9-14-12-8-6-7-11(13)10-12/h6-8,10H,2-5,9,13H2,1H3
InChIKey
NFUUFPNUOVKOIG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1cccc(c1)N
Isomeric Smiles
c1cc(cc(c1)N)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1855123
LogD (pH = 7.4)
3.1995037
Log P
3.1996849
Molar Refractivity
60.2972
Polarizability
23.211147
Polar Surface Area
35.25
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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