Molecule

ID:14636

General Information
Structure
Molecular Formula
C₁₄H₁₈N₆O
Molecular Mass
286.33232
Exact Mass
286.15420923
Charge
0
InChI
InChI=1S/C14H18N6O/c15-12-6-4-11(5-7-12)14-16-18-20(17-14)10-13(21)19-8-2-1-3-9-19/h4-7H,1-3,8-10,15H2
InChIKey
QJCDQGSZXLWSJG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1nnn(n1)CC(=O)N1CCCCC1
Isomeric Smiles
c1(c2ccc(cc2)N)nn(nn1)CC(=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.4057945
LogD (pH = 7.4)
1.4062376
Log P
1.4062432
Molar Refractivity
103.1788
Polarizability
30.175463
Polar Surface Area
89.93
Rotatable Bonds
3
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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