Molecule

ID:53030

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O₄
Molecular Mass
328.3624
Exact Mass
328.14230713
Charge
0
InChI
InChI=1S/C18H20N2O4/c21-17(22)16(12-19-11-14-7-3-1-4-8-14)20-18(23)24-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKey
OAHOFSCUNXESMA-INIZCTEOSA-N
Canonic Smiles
O=C(N[C@H](C(=O)O)CNCc1ccccc1)OCc1ccccc1
Isomeric Smiles
N(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.0303411
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.114904456
LogD (pH = 7.4)
0.10510422
Log P
0.11543081
Molar Refractivity
88.7657
Polarizability
34.909184
Polar Surface Area
87.66
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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