Molecule

ID:20494

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-9(2)6-7-14-11-4-5-12(13)10(3)8-11/h4-5,8-9H,6-7,13H2,1-3H3
InChIKey
WBNATLZQZUZXJR-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(c(c1)C)N)C
Isomeric Smiles
c1(c(ccc(c1)OCCC(C)C)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9794095
LogD (pH = 7.4)
3.1090539
Log P
3.1109881
Molar Refractivity
60.685
Polarizability
23.130665
Polar Surface Area
35.25
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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