Molecule
ID:122620
General Information
Molecular Formula
C₁₁H₁₅N₃O₂
Molecular Mass
221.2557
Exact Mass
221.11642674
Charge
0
InChI
InChI=1S/C11H15N3O2/c1-8-9(10(15)16-2)7-12-11(13-8)14-5-3-4-6-14/h7H,3-6H2,1-2H3
InChIKey
LVZFFEYKLSDXFY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(nc1C)N1CCCC1
Isomeric Smiles
c1(nc(c(C(=O)OC)cn1)C)N1CCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3767974
LogD (pH = 7.4)
1.3772048
Log P
1.3772099
Molar Refractivity
61.2547
Polarizability
22.538107
Polar Surface Area
55.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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