Molecule

ID:135490

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9,12H2,1H3
InChIKey
QZLNSNIHXKQIIS-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)N
Isomeric Smiles
CCCCCOc1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6104374
LogD (pH = 7.4)
2.7529554
Log P
2.7551162
Molar Refractivity
55.6962
Polarizability
21.364246
Polar Surface Area
35.25
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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