Molecule

ID:33260

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O
Molecular Mass
191.22972
Exact Mass
191.10586205
Charge
0
InChI
InChI=1S/C10H13N3O/c11-9-7-8(3-4-12-9)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,11,12)
InChIKey
REBIXQGJYXBIRH-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc(c1)C(=O)N1CCCC1
Isomeric Smiles
C(=O)(N1CCCC1)c1cc(ncc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.10323715
LogD (pH = 7.4)
0.22311185
Log P
0.22489485
Molar Refractivity
55.3278
Polarizability
20.050703
Polar Surface Area
59.22
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
No Data Available
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Molecule Details
References
Bioactivity
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