Molecule

ID:75993

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₄O₂
Molecular Mass
292.37666
Exact Mass
292.18992603
Charge
0
InChI
InChI=1S/C15H24N4O2/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,6-9,11,16H2,1-3H3
InChIKey
FOCCRLWIOGAIGE-UHFFFAOYSA-N
Canonic Smiles
NCc1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(c2nccc(c2)CN)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.677849
LogD (pH = 7.4)
-0.6178613
Log P
1.3311079
Molar Refractivity
82.8671
Polarizability
31.684729
Polar Surface Area
71.69
Rotatable Bonds
4
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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