Molecule

ID:120778

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₄
Molecular Mass
258.36198
Exact Mass
258.18444672
Charge
0
InChI
InChI=1S/C15H22N4/c1-18-14-7-6-12(16)10-13(14)17-15(18)11-19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11,16H2,1H3
InChIKey
DIIOZNQZSVADFD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(n2C)CN1CCCCCC1
Isomeric Smiles
c1(nc2c(n1C)ccc(c2)N)CN1CCCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6052003
LogD (pH = 7.4)
1.1024672
Log P
1.9637522
Molar Refractivity
79.1783
Polarizability
31.266825
Polar Surface Area
47.08
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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