Molecule

ID:18578

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₄O
Molecular Mass
262.35068
Exact Mass
262.17936134
Charge
0
InChI
InChI=1S/C14H22N4O/c1-16(2)8-7-15-10-11-5-6-12-13(9-11)18(4)14(19)17(12)3/h5-6,9,15H,7-8,10H2,1-4H3
InChIKey
JLJDFEMVLSVJAX-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCc1ccc2c(c1)n(C)c(=O)n2C)C
Isomeric Smiles
c1(=O)n(c2c(n1C)ccc(c2)CNCCN(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4690611
LogD (pH = 7.4)
-1.0284028
Log P
0.8124015
Molar Refractivity
77.4937
Polarizability
29.697056
Polar Surface Area
38.82
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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