Molecule

ID:17657

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
InChIKey
GEZMAGRHANFXAR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1C1CCCCC1
Isomeric Smiles
n1(C2CCCCC2)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.70858
LogD (pH = 7.4)
2.70858
Log P
2.70858
Molar Refractivity
53.1892
Polarizability
20.17263
Polar Surface Area
22.0
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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