Molecule
ID:121562
General Information
Molecular Formula
C₁₅H₁₆N₄O₃
Molecular Mass
300.31254
Exact Mass
300.12224039
Charge
0
InChI
InChI=1S/C15H16N4O3/c16-13(21)10-4-7-18(8-5-10)14-11(9-20)15(22)19-6-2-1-3-12(19)17-14/h1-3,6,9-10H,4-5,7-8H2,(H2,16,21)
InChIKey
IMRLJPWEXHEVDF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n(c1=O)cccc2)N1CCC(CC1)C(=O)N
Isomeric Smiles
c1(nc2n(c(=O)c1C=O)cccc2)N1CCC(C(=O)N)CC1
Calculated Properties
JChem
Acid pKa
15.872509
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.4527388
LogD (pH = 7.4)
-0.45271024
Log P
-0.45270988
Molar Refractivity
91.2874
Polarizability
29.861021
Polar Surface Area
96.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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