Molecule

ID:16579

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-8-6-10(7-12)9(2)11(8)4-5-13-3/h6-7H,4-5H2,1-3H3
InChIKey
PLAMSNVDPRMJRI-UHFFFAOYSA-N
Canonic Smiles
COCCn1c(C)cc(c1C)C=O
Isomeric Smiles
n1(c(c(cc1C)C=O)C)CCOC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3414555
LogD (pH = 7.4)
1.3414555
Log P
1.3414555
Molar Refractivity
53.6404
Polarizability
19.600258
Polar Surface Area
31.23
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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