Molecule

ID:1217

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉N₃O₅
Molecular Mass
367.43996
Exact Mass
367.21072104
Charge
0
InChI
InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
InChIKey
ANZXOIAKUNOVQU-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(CNC(C)(C)C)O
Isomeric Smiles
OC(CNC(C)(C)C)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.70
LogD (pH = 5.5)
-1.78
Log P
1.40
Rotatable Bonds
8
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
9.52
Polar Surface Area
91.34
Polarizability
40.51
Molar Refractivity
98.28
LOG S
-2.21
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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