Molecule

ID:16097

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c14-9(15)8-6-11-10(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2,(H,14,15)
InChIKey
AZRMCOFZXOSTSH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc(nc1)N1CCCCC1
Isomeric Smiles
c1(ncc(C(=O)O)cn1)N1CCCCC1
Calculated Properties
JChem
Acid pKa
3.9110398
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.2563384
LogD (pH = 7.4)
-1.8663969
Log P
1.3445144
Molar Refractivity
56.4951
Polarizability
20.538826
Polar Surface Area
66.32
Rotatable Bonds
2
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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