Molecule

ID:71572

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO
Molecular Mass
195.30124
Exact Mass
195.1623143
Charge
0
InChI
InChI=1S/C12H21NO/c1-3-7-12(13,8-4-2)11-5-9-14-10-6-11/h3-4,11H,1-2,5-10,13H2
InChIKey
HSEUBOQRMZTHEV-UHFFFAOYSA-N
Canonic Smiles
C=CCC(C1CCOCC1)(CC=C)N
Isomeric Smiles
C1OCCC(C1)C(N)(CC=C)CC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2104415
LogD (pH = 7.4)
-1.0235305
Log P
1.8196858
Molar Refractivity
60.6075
Polarizability
23.86284
Polar Surface Area
35.25
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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