Molecule

ID:125226

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO₂
Molecular Mass
251.3645
Exact Mass
251.18852905
Charge
0
InChI
InChI=1S/C15H25NO2/c1-5-6-7-12-9-15(18-4)13(8-11(2)16)10-14(12)17-3/h9-11H,5-8,16H2,1-4H3
InChIKey
NGVDYAULSQKEGW-UHFFFAOYSA-N
Canonic Smiles
CCCCc1cc(OC)c(cc1OC)CC(N)C
Isomeric Smiles
O(c1cc(c(OC)cc1CC(N)C)CCCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.31981
LogD (pH = 7.4)
0.920059
Log P
3.3360353
Molar Refractivity
75.4758
Polarizability
29.63385
Polar Surface Area
44.48
Rotatable Bonds
7
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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