Molecule

ID:29623

General Information
Structure
Molecular Formula
C₁₅H₂₅NO
Molecular Mass
235.3651
Exact Mass
235.19361443
Charge
0
InChI
InChI=1S/C15H25NO/c1-4-6-11-17-15-10-8-7-9-14(15)12-16-13(3)5-2/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKey
UHFVVKQXHMOBJR-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1CNC(CC)C
Isomeric Smiles
c1(CNC(CC)C)c(OCCCC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.84241056
LogD (pH = 7.4)
2.0363374
Log P
3.9937277
Molar Refractivity
73.3342
Polarizability
29.145296
Polar Surface Area
21.26
Rotatable Bonds
8
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
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Molecule Details
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References
Bioactivity
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