Molecule

ID:63189

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₄
Molecular Mass
261.2732
Exact Mass
261.10010797
Charge
0
InChI
InChI=1S/C14H15NO4/c16-13(17)12-10-6-15(7-11(10)12)14(18)19-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,16,17)/t10-,11+,12+
InChIKey
ICSLZBSYUJAPNS-GDNZZTSVSA-N
Canonic Smiles
O=C(N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O)OCc1ccccc1
Isomeric Smiles
O(C(=O)N1C[C@H]2[C@H](C(=O)O)[C@H]2C1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.8894734
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.404822
LogD (pH = 7.4)
-2.0079768
Log P
1.2110211
Molar Refractivity
66.8164
Polarizability
26.06307
Polar Surface Area
66.84
Rotatable Bonds
4
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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