Molecule

ID:6327

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₃
Molecular Mass
328.40546
Exact Mass
328.17869264
Charge
0
InChI
InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m0/s1
InChIKey
UXIYKMARWUSIKU-HNNXBMFYSA-N
Canonic Smiles
C[C@H]1COC(=N1)c1ccc(cc1)OCCCCCc1onc(c1)C
Isomeric Smiles
o1nc(C)cc1CCCCCOc1ccc(cc1)C1=N[C@@H](C)CO1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6668882
LogD (pH = 7.4)
3.674129
Log P
3.674222
Molar Refractivity
93.4546
Polarizability
35.513103
Polar Surface Area
56.85
Rotatable Bonds
8
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.54
LOG S
-4.18
Solubility (Water)
2.19e-02 g/l
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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