Molecule

ID:41744

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₄O
Molecular Mass
282.34032
Exact Mass
282.14806122
Charge
0
InChI
InChI=1S/C16H18N4O/c17-14-6-4-13(5-7-14)16(21)20-11-9-19(10-12-20)15-3-1-2-8-18-15/h1-8H,9-12,17H2
InChIKey
MMRVFMRIJLTGHP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccn1
Isomeric Smiles
C(=O)(N1CCN(c2ncccc2)CC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6874454
LogD (pH = 7.4)
1.5153652
Log P
1.5573372
Molar Refractivity
84.3354
Polarizability
30.77132
Polar Surface Area
62.46
Rotatable Bonds
2
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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