Molecule

ID:58408

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)
InChIKey
CKBZJTAMRPPVSR-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C2)C3)C(=O)N
Calculated Properties
JChem
Acid pKa
16.533367
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5728332
LogD (pH = 7.4)
1.5728337
Log P
1.5728337
Molar Refractivity
50.2105
Polarizability
20.010946
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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