Molecule

ID:127225

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO₃
Molecular Mass
267.3639
Exact Mass
267.18344367
Charge
0
InChI
InChI=1S/C15H25NO3/c1-5-17-13-10-15(19-7-3)14(18-6-2)9-12(13)8-11(4)16/h9-11H,5-8,16H2,1-4H3
InChIKey
PVOHHXSVHWUAMS-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(OCC)c(cc1CC(N)C)OCC
Isomeric Smiles
CCOc1cc(OCC)c(cc1OCC)CC(C)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.614737
LogD (pH = 7.4)
-0.017742176
Log P
2.4016604
Molar Refractivity
77.3406
Polarizability
30.377834
Polar Surface Area
53.71
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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