Molecule

ID:37546

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c14-10-5-3-1-2-4-9(10)6-13-8-11-7-12-13/h7-9H,1-6H2
InChIKey
OKZHFCHBRPGRHD-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCCC1Cn1ncnc1
Isomeric Smiles
c1ncnn1CC1CCCCCC1=O
Calculated Properties
JChem
Acid pKa
19.496397
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4278995
LogD (pH = 7.4)
1.4281383
Log P
1.4281414
Molar Refractivity
65.0718
Polarizability
20.343136
Polar Surface Area
47.78
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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