Molecule

ID:78606

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₄O₂
Molecular Mass
288.3449
Exact Mass
288.1586259
Charge
0
InChI
InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-10-12(11-16)4-5-17-13/h4-5,10H,6-9H2,1-3H3
InChIKey
SLBLBTKJSGRVTR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
n1ccc(cc1N1CCN(CC1)C(=O)OC(C)(C)C)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.0612533
LogD (pH = 7.4)
2.0614333
Log P
2.0614357
Molar Refractivity
80.1153
Polarizability
30.167248
Polar Surface Area
69.46
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
No Data Available
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Molecule Details
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References
Bioactivity
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