Molecule

ID:115955

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₄
Molecular Mass
256.3461
Exact Mass
256.16879666
Charge
0
InChI
InChI=1S/C15H20N4/c1-12-15(18-10-8-16-9-11-18)13(2)19(17-12)14-6-4-3-5-7-14/h3-7,16H,8-11H2,1-2H3
InChIKey
ZCHVEEHZLQPVRX-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1N1CCNCC1)C)c1ccccc1
Isomeric Smiles
n1(c(c(c(n1)C)N1CCNCC1)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.008629
LogD (pH = 7.4)
0.54895955
Log P
1.9621114
Molar Refractivity
79.3449
Polarizability
30.253532
Polar Surface Area
33.09
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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