Molecule

ID:17515

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O
Molecular Mass
205.2563
Exact Mass
205.12151212
Charge
0
InChI
InChI=1S/C11H15N3O/c1-3-13-9-6-5-8(12)7-10(9)14(4-2)11(13)15/h5-7H,3-4,12H2,1-2H3
InChIKey
OIFYEFTYZRZGGE-UHFFFAOYSA-N
Canonic Smiles
CCn1c(=O)n(c2c1cc(N)cc2)CC
Isomeric Smiles
c12c(n(c(=O)n1CC)CC)ccc(c2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1162827
LogD (pH = 7.4)
1.1200498
Log P
1.1200981
Molar Refractivity
60.4242
Polarizability
22.263573
Polar Surface Area
49.57
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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