Molecule

ID:125854

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
InChIKey
SGNXVBOIDPPRJJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1=CCCC2NC1CC2
Isomeric Smiles
CC(=O)C1=CCCC2CCC1N2
Calculated Properties
JChem
Acid pKa
19.11709
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0415988
LogD (pH = 7.4)
-1.4915218
Log P
1.1860532
Molar Refractivity
48.8307
Polarizability
19.04952
Polar Surface Area
29.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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