Molecule

ID:56999

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃O₂
Molecular Mass
257.2878
Exact Mass
257.11642674
Charge
0
InChI
InChI=1S/C14H15N3O2/c1-8-5-9-3-2-4-17-7-11(14(19)16-15)13(18)10(6-8)12(9)17/h5-7H,2-4,15H2,1H3,(H,16,19)
InChIKey
JZHXRGWIMUIEHQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cn2CCCc3c2c(c1=O)cc(c3)C
Isomeric Smiles
c1(cc2c3c(c1)c(=O)c(cn3CCC2)C(=O)NN)C
Calculated Properties
JChem
Acid pKa
12.351663
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.267119
LogD (pH = 7.4)
1.2675557
Log P
1.2675657
Molar Refractivity
74.5859
Polarizability
27.036398
Polar Surface Area
75.43
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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