Molecule

ID:31241

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₃O₂
Molecular Mass
273.33026
Exact Mass
273.14772686
Charge
0
InChI
InChI=1S/C15H19N3O2/c19-15(20)11-18-13-7-3-2-6-12(13)16-14(18)10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-11H2,(H,19,20)
InChIKey
GIKOUEBVXWQMJC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c(CN2CCCCC2)nc2c1cccc2
Isomeric Smiles
c1(n(c2c(n1)cccc2)CC(=O)O)CN1CCCCC1
Calculated Properties
JChem
Acid pKa
3.9345002
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.83618265
LogD (pH = 7.4)
-1.0386304
Log P
-0.8378315
Molar Refractivity
75.9615
Polarizability
30.680695
Polar Surface Area
58.36
Rotatable Bonds
4
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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