Molecule

ID:38927

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKey
HFPVZPNLMJDJFB-GFCCVEGCSA-N
Canonic Smiles
O=C(N1Cc2ccccc2C[C@@H]1C(=O)O)OC(C)(C)C
Isomeric Smiles
c1ccc2c(c1)C[C@@H](N(C2)C(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9435692
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.98088604
LogD (pH = 7.4)
-0.6459216
Log P
2.5446157
Molar Refractivity
73.4406
Polarizability
28.609812
Polar Surface Area
66.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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