Molecule

ID:48278

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-2-16(12-6-4-3-5-7-12)13-9-8-11(15(18)19)10-14(13)17(20)21/h8-10,12H,2-7H2,1H3,(H,18,19)
InChIKey
MIFATPOJHQVMHU-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1[N+](=O)[O-])C(=O)O)C1CCCCC1
Isomeric Smiles
c1([N+](=O)[O-])c(N(C2CCCCC2)CC)ccc(c1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.3404875
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.6476943
LogD (pH = 7.4)
0.90141565
Log P
3.8349352
Molar Refractivity
80.8303
Polarizability
29.70101
Polar Surface Area
86.36
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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