Molecule

ID:29109

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO
Molecular Mass
235.3651
Exact Mass
235.19361443
Charge
0
InChI
InChI=1S/C15H25NO/c1-5-13(4)14-8-6-7-9-15(14)17-11-10-16-12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKey
AHPWWFGANJDJDG-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCCNC(C)C)C
Isomeric Smiles
c1(c(OCCNC(C)C)cccc1)C(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.71835303
LogD (pH = 7.4)
1.666853
Log P
3.9141319
Molar Refractivity
73.2048
Polarizability
29.06875
Polar Surface Area
21.26
Rotatable Bonds
7
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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