Molecule

ID:39586

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-15(2)9-12(14(17)19-4)10-7-5-6-8-11(10)13(16)18-3/h5-9H,1-4H3/b12-9-
InChIKey
NCSXFYKIZLLOIV-XFXZXTDPSA-N
Canonic Smiles
COC(=O)/C(=C\N(C)C)/c1ccccc1C(=O)OC
Isomeric Smiles
C(=C\N(C)C)(/c1c(C(=O)OC)cccc1)\C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8025094
LogD (pH = 7.4)
2.1645048
Log P
2.1717744
Molar Refractivity
72.2424
Polarizability
27.53592
Polar Surface Area
55.84
Rotatable Bonds
6
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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