Molecule

ID:29061

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅NO₂
Molecular Mass
263.3752
Exact Mass
263.18852905
Charge
0
InChI
InChI=1S/C16H25NO2/c1-3-13(2)19-15-8-6-14(7-9-15)11-17-12-16-5-4-10-18-16/h6-9,13,16-17H,3-5,10-12H2,1-2H3
InChIKey
BFQINCRRDWDXIZ-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)CNCC1CCCO1)C
Isomeric Smiles
O1C(CNCc2ccc(OC(CC)C)cc2)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.02329174
LogD (pH = 7.4)
1.2991893
Log P
3.0884178
Molar Refractivity
77.7153
Polarizability
30.914995
Polar Surface Area
30.49
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
No Data Available
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Molecule Details
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References
Bioactivity
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