Molecule

ID:5320

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₅
Molecular Mass
362.42014
Exact Mass
362.18417194
Charge
0
InChI
InChI=1S/C19H26N2O5/c1-12(2)17-18(23)20-15(19(24)25)11-13-6-8-14(9-7-13)26-10-4-3-5-16(22)21-17/h6-9,12,15,17H,3-5,10-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t15-,17-/m0/s1
InChIKey
RRAAROKJUVKWAF-RDJZCZTQSA-N
Canonic Smiles
O=C1CCCCOc2ccc(C[C@H](NC(=O)[C@@H](N1)C(C)C)C(=O)O)cc2
Isomeric Smiles
CC(C)[C@H]1C(=O)N[C@H](C(=O)O)Cc2ccc(cc2)OCCCCC(=O)N1
Calculated Properties
JChem
Acid pKa
3.7864685
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.04602763
LogD (pH = 7.4)
-1.5072632
Log P
1.7613382
Molar Refractivity
94.8126
Polarizability
37.194717
Polar Surface Area
104.73
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.64
LOG S
-3.2
Solubility (Water)
2.30e-01 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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