Molecule

ID:31737

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-10-4-3-5-11(8-10)14-12(15(18)19)9-13(17)16(14)6-7-20-2/h3-5,8,12,14H,6-7,9H2,1-2H3,(H,18,19)/t12-,14+/m1/s1
InChIKey
OBQYFNIPAIEUEY-OCCSQVGLSA-N
Canonic Smiles
COCCN1C(=O)C[C@H]([C@@H]1c1cccc(c1)C)C(=O)O
Isomeric Smiles
[C@@H]1([C@@H](N(C(=O)C1)CCOC)c1cc(ccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.394329
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.13658631
LogD (pH = 7.4)
-1.6189632
Log P
1.2734048
Molar Refractivity
73.608
Polarizability
28.537403
Polar Surface Area
66.84
Rotatable Bonds
5
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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