Molecule

ID:114393

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₅O₂
Molecular Mass
285.3012
Exact Mass
285.12257475
Charge
0
InChI
InChI=1S/C14H15N5O2/c1-20-11-4-2-10(3-5-11)14-17-16-12-6-7-13(18-19(12)14)21-9-8-15/h2-7H,8-9,15H2,1H3
InChIKey
QJHWGOKUBJULBD-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc2n(n1)c(nn2)c1ccc(cc1)OC
Isomeric Smiles
n12c(nnc1ccc(n2)OCCN)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.7619216
LogD (pH = 7.4)
-0.65473026
Log P
1.1994224
Molar Refractivity
100.2811
Polarizability
30.188454
Polar Surface Area
87.56
Rotatable Bonds
5
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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