Molecule

ID:69362

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄N₂O₄
Molecular Mass
368.42626
Exact Mass
368.17360726
Charge
0
InChI
InChI=1S/C21H24N2O4/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKey
YRKFMPDOFHQWPI-IBGZPJMESA-N
Canonic Smiles
NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(=O)([C@H](CCCCN)NC(=O)OCC1c2ccccc2c2ccccc12)O
Calculated Properties
JChem
Acid pKa
3.6196792
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.64612985
LogD (pH = 7.4)
0.65015
Log P
0.6504462
Molar Refractivity
101.8893
Polarizability
41.04742
Polar Surface Area
101.65
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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