Molecule

ID:18741

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O
Molecular Mass
205.2563
Exact Mass
205.12151212
Charge
0
InChI
InChI=1S/C11H15N3O/c1-9-3-2-4-14(7-9)11-12-5-10(8-15)6-13-11/h5-6,8-9H,2-4,7H2,1H3
InChIKey
YGWJFOFMSYFRAC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(nc1)N1CCCC(C1)C
Isomeric Smiles
c1(N2CC(CCC2)C)ncc(cn1)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7642967
LogD (pH = 7.4)
1.7644053
Log P
1.7644067
Molar Refractivity
60.2945
Polarizability
21.901693
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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