Molecule

ID:6328

General Information
Structure
Molecular Formula
C₂₂H₃₀N₂O₃
Molecular Mass
370.4852
Exact Mass
370.22564283
Charge
0
InChI
InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3/t19-/m0/s1
InChIKey
PZDSRPCFNWOUFP-IBGZPJMESA-N
Canonic Smiles
CC[C@H]1COC(=N1)c1ccc(cc1)OCCCCCCCc1onc(c1)C
Isomeric Smiles
o1nc(C)cc1CCCCCCCOc1ccc(cc1)C1=N[C@@H](CC)CO1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.078708
LogD (pH = 7.4)
5.0857906
Log P
5.0858817
Molar Refractivity
107.1806
Polarizability
41.033535
Polar Surface Area
56.85
Rotatable Bonds
11
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
5.68
LOG S
-4.68
Solubility (Water)
7.71e-03 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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