Molecule

ID:11615

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₅
Molecular Mass
291.29918
Exact Mass
291.11067265
Charge
0
InChI
InChI=1S/C13H15NO.C2H2O4/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13;3-1(4)2(5)6/h2-8,14H,9-10H2,1H3;(H,3,4)(H,5,6)
InChIKey
DGBPBBUDVCFXOU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.Cc1ccc(cc1)CNCc1ccco1
Isomeric Smiles
c1cc(oc1)CNCc1ccc(cc1)C.O=C(O)C(=O)O
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.4841337
LogD (pH = 7.4)
2.2092252
Log P
2.8297358
Molar Refractivity
61.3507
Polarizability
23.7752
Polar Surface Area
25.17
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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