Molecule

ID:17341

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O
Molecular Mass
191.22972
Exact Mass
191.10586205
Charge
0
InChI
InChI=1S/C10H13N3O/c14-8-9-6-11-10(12-7-9)13-4-2-1-3-5-13/h6-8H,1-5H2
InChIKey
CDYSOZHCSGJKEP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(nc1)N1CCCCC1
Isomeric Smiles
c1(N2CCCCC2)ncc(cn1)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3993232
LogD (pH = 7.4)
1.3994324
Log P
1.3994339
Molar Refractivity
55.8229
Polarizability
20.064798
Polar Surface Area
46.09
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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