Molecule

ID:29620

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)16-11-14(6-2)17-15-10-8-7-9-12(15)3/h7-10,13-14,16H,5-6,11H2,1-4H3
InChIKey
ZLRXPNIPFMUIJI-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccccc1C)CNC(CC)C
Isomeric Smiles
c1(OC(CNC(CC)C)CC)c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.98099124
LogD (pH = 7.4)
1.6891396
Log P
4.1995955
Molar Refractivity
72.921
Polarizability
29.070425
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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