Molecule
ID:83547
General Information
Molecular Formula
C₁₁H₁₃NO
Molecular Mass
175.22702
Exact Mass
175.09971404
Charge
0
InChI
InChI=1S/C11H13NO/c12-5-10-7-1-6-2-8(4-7)11(13)9(10)3-6/h6-10H,1-4H2
InChIKey
CIDMJAUKOQQHLO-UHFFFAOYSA-N
Canonic Smiles
N#CC1C2CC3CC1C(=O)C(C2)C3
Isomeric Smiles
N#CC1C2C(=O)C3CC(C2)CC1C3
Calculated Properties
JChem
Acid pKa
18.674538
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5014466
LogD (pH = 7.4)
1.5014466
Log P
1.5014466
Molar Refractivity
48.1084
Polarizability
18.72309
Polar Surface Area
40.86
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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