Molecule

ID:29112

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-10(2)13-9-8-11-4-6-12(14-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKey
RUFDGSSUOBSVBG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCNC(C)C
Isomeric Smiles
N(CCc1ccc(cc1)OC)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7936709
LogD (pH = 7.4)
-0.288266
Log P
2.4359674
Molar Refractivity
59.6916
Polarizability
23.527994
Polar Surface Area
21.26
Rotatable Bonds
5
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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