Molecule

ID:31479

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO
Molecular Mass
195.30124
Exact Mass
195.1623143
Charge
0
InChI
InChI=1S/C12H21NO/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h14H,3-8,13H2,1-2H3
InChIKey
HSRBAOBUCHCHTQ-UHFFFAOYSA-N
Canonic Smiles
CC12CC3(C)CC(C1)(N)CC(C2)(C3)O
Isomeric Smiles
C12(CC3(CC(C1)(CC(C2)(C3)C)C)O)N
Calculated Properties
JChem
Acid pKa
14.688498
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.348038
LogD (pH = 7.4)
-1.9940413
Log P
0.67804056
Molar Refractivity
56.1243
Polarizability
22.79212
Polar Surface Area
46.25
Rotatable Bonds
0
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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