Molecule

ID:81028

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₅O₂
Molecular Mass
289.33296
Exact Mass
289.15387487
Charge
0
InChI
InChI=1S/C14H19N5O2/c1-18(2)9-5-8-16-13(20)12-17-11-7-4-3-6-10(11)14(21)19(12)15/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,16,20)
InChIKey
JMCABPSSUYPALY-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNC(=O)c1nc2ccccc2c(=O)n1N)C
Isomeric Smiles
n1(c(nc2ccccc2c1=O)C(=O)NCCCN(C)C)N
Calculated Properties
JChem
Acid pKa
14.350733
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.3920155
LogD (pH = 7.4)
-1.9607495
Log P
-0.068103336
Molar Refractivity
83.2723
Polarizability
30.207777
Polar Surface Area
91.03
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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