Molecule

ID:41209

General Information
Structure
Molecular Formula
C₁₅H₁₈N₂O₅
Molecular Mass
306.31382
Exact Mass
306.12157169
Charge
0
InChI
InChI=1S/C15H18N2O5/c1-2-22-15(19)12-5-7-16(8-6-12)13-4-3-11(10-18)9-14(13)17(20)21/h3-4,9-10,12H,2,5-8H2,1H3
InChIKey
IEEHLDTWICBVDM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C=O
Isomeric Smiles
c1(c(cc(cc1)C=O)[N+](=O)[O-])N1CCC(CC1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.3095844
LogD (pH = 7.4)
2.309589
Log P
2.309589
Molar Refractivity
82.2949
Polarizability
30.07624
Polar Surface Area
92.43
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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