Molecule

ID:75567

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-7-4-3-5-8(6-11)9(7)10-2/h3-5,10-11H,6H2,1-2H3
InChIKey
DMEBMZOBBHGZNP-UHFFFAOYSA-N
Canonic Smiles
CNc1c(CO)cccc1C
Isomeric Smiles
N(c1c(cccc1C)CO)C
Calculated Properties
JChem
Acid pKa
15.016179
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.185815
LogD (pH = 7.4)
1.1920159
Log P
1.1920955
Molar Refractivity
48.1089
Polarizability
17.532091
Polar Surface Area
32.26
Rotatable Bonds
2
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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