Molecule

ID:686

General Information
Structure
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Molecular Formula
C₁₆H₂₆N₂O₃
Molecular Mass
294.38924
Exact Mass
294.1943427
Charge
0
InChI
InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKey
KCLANYCVBBTKTO-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC
Isomeric Smiles
O(CCN(CC)CC)C(=O)c1cc(N)c(OCCC)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.579591
LogD (pH = 7.4)
1.0333513
Log P
2.6017163
Molar Refractivity
86.0358
Polarizability
32.82243
Polar Surface Area
64.79
Rotatable Bonds
10
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.97
LOG S
-2.33
Solubility (Water)
1.39e+00 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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